Navigation

name Structure Reference Source Properties Activities Metabolism

adamantan-1-amine

AlkaPlorer ID: AK323618

Synonym: None

IUPAC Name: adamantan-1-amine

Structure

SMILES: NC12CC3CC(CC(C3)C1)C2

copy

InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

copy

InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N

copy

Reference

PubChem CID: 155775867

CAS: 26303-90-2

NPASS: NPC483992

COCONUT: CNP0334349.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Microcystis ichthyoblabe Microcystis Microcystaceae Chroococcales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 151.253

TPSA？: 26.02

MolLogP？: 1.9139

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Brain Fu 0.218 None 10.1124/dmd.111.038778
Canis lupus familiaris MDCK Activity 1000.0 ug ml-1 10.1016/j.ejmech.2010.07.058
Canis lupus familiaris MDCK Activity nan None 10.1021/jm500598u
Canis lupus familiaris MDCK CC50 200.0 ug.mL-1 10.1016/j.ejmech.2010.09.065
Canis lupus familiaris MDCK CC50 1000.0 ug.mL-1 10.1016/j.ejmech.2010.07.058
Canis lupus familiaris MDCK CC50 80000.0 nM 10.1021/ml500236n
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1016/j.bmc.2008.08.041
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1016/j.bmcl.2023.129174
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1016/j.ejmech.2013.01.015
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1016/j.ejmech.2015.09.037
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1016/j.ejmech.2019.111739
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1021/acs.jmedchem.6b01115
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1021/acsmedchemlett.7b00458
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1021/jm2013503
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1021/jm801470b
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1021/ml300279b
Canis lupus familiaris MDCK CC50 100000.0 nM 10.1039/C8MD00474A
Canis lupus familiaris MDCK CC50 200000.0 nM 10.1016/j.bmc.2016.04.010
Canis lupus familiaris MDCK CC50 200000.0 nM 10.1016/j.bmc.2019.115130
Canis lupus familiaris MDCK CC50 200000.0 nM 10.1016/j.ejmech.2012.03.007
Canis lupus familiaris MDCK CC50 200000.0 nM 10.1016/j.ejmech.2015.02.006
Canis lupus familiaris MDCK CC50 218920.0 nM 10.1016/j.bmcl.2014.04.057
Canis lupus familiaris MDCK CC50 220360.0 nM 10.1016/j.bmcl.2011.12.076
Canis lupus familiaris MDCK CC50 220360.0 nM 10.1016/j.bmcl.2013.02.101
Canis lupus familiaris MDCK CC50 284000.0 nM 10.1039/C8MD00442K
Canis lupus familiaris MDCK CC50 284100.0 nM 10.1039/C6MD00657D
Canis lupus familiaris MDCK CC50 400000.0 nM 10.1016/j.ejmech.2017.04.070
Canis lupus familiaris MDCK CC50 440990.0 nM 10.1016/j.ejmech.2018.09.065
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1007/s00044-012-0184-x
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1016/j.bmc.2012.09.064
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1016/j.bmcl.2014.06.018
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1016/j.ejmech.2015.02.028
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1016/j.ejmech.2018.05.059
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1016/j.ejmech.2018.08.058
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1021/acs.jmedchem.6b01758
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1021/acs.jmedchem.7b00908
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1021/jm101334y
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1021/jm401340p
Canis lupus familiaris MDCK CC50 500000.0 nM 10.1021/jm5005804
Canis lupus familiaris MDCK CTD50 266.0 uM 10.1016/j.bmcl.2017.03.051
Canis lupus familiaris MDCK CTD50 280.0 uM 10.1016/j.ejmech.2016.10.035
Canis lupus familiaris MDCK CTD50 284.0 uM 10.1016/j.bmcl.2019.126745
Canis lupus familiaris MDCK CTD50 284.1 uM 10.1016/j.bmc.2013.08.014
Canis lupus familiaris MDCK CTD50 284.1 uM 10.1016/j.bmc.2014.02.038
Canis lupus familiaris MDCK EC50 1100.0 nM 10.1016/s0960-894x(03)00231-2
Canis lupus familiaris MDCK IC50 56.0 ug.mL-1 10.1021/np960613i
Canis lupus familiaris MDCK IC50 660900.0 nM 10.1021/jm00018a015
Canis lupus familiaris MDCK IC50 1321800.0 nM 10.1021/jm00018a015
Canis lupus familiaris MDCK ID50 9.0 ng ml-1 10.1021/jm00169a029
Canis lupus familiaris MDCK ID50 10.0 ng ml-1 10.1021/jm00169a029
Canis lupus familiaris MDCK ID50 80.0 ng ml-1 10.1021/jm00169a029
Canis lupus familiaris MDCK ID50 113.0 ng ml-1 10.1021/jm00169a029
Canis lupus familiaris MDCK ID50 116.0 ng ml-1 10.1021/jm00169a029
Canis lupus familiaris MDCK MCC 200.0 ug.mL-1 10.1016/j.ejmech.2010.09.065
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.bmc.2008.08.041
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.bmc.2008.10.028
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.bmc.2018.05.034
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.bmcl.2007.04.108
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.ejmech.2010.08.009
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1016/j.ejmech.2019.111739
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1021/acs.jmedchem.8b00042
Canis lupus familiaris MDCK MCC 100000.0 nM 10.1021/jm801470b
Canis lupus familiaris MDCK MCC 200000.0 nM 10.1016/j.bmc.2019.115130
Canis lupus familiaris MDCK MCC 200000.0 nM 10.1016/j.ejmech.2012.03.007
Canis lupus familiaris MDCK MCC 200000.0 nM 10.1016/j.ejmech.2013.05.046
Canis lupus familiaris MDCK MCC 200000.0 nM 10.1016/j.ejmech.2013.06.036
Canis lupus familiaris MDCK MCC 400000.0 nM 10.1016/j.ejmech.2017.04.070
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1007/s00044-012-0184-x
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.bmc.2009.01.009
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.bmc.2012.09.064
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.bmcl.2012.09.079
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.bmcl.2014.06.018
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.ejmech.2012.10.030
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.ejmech.2015.02.028
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.ejmech.2018.05.059
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1016/j.ejmech.2018.08.058
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1021/acs.jmedchem.7b00908
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1021/jm401340p
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1021/jm5005804
Canis lupus familiaris MDCK MCC 500000.0 nM 10.1021/ml300279b
Canis lupus familiaris MDCK MCC50 533.3 uM 10.1016/s0960-894x(01)00388-2
Canis lupus familiaris MDCK MCC50 1211.8 uM 10.1016/s0960-894x(03)00231-2
Canis lupus familiaris MDCK MIC50 48.0 ug.mL-1 10.1021/jm950891z
Canis lupus familiaris MDCK MIC50 100.0 ug.mL-1 10.1021/jm00044a010
Canis lupus familiaris MDCK MIC50 200.0 ug.mL-1 10.1021/jm00044a010
Canis lupus familiaris MDCK MIC50 250.0 ug.mL-1 10.1021/jm950891z
Canis lupus familiaris MDCK MIC50 2600.0 nM 10.1016/s0960-894x(01)00388-2
Canis lupus familiaris MDCK MIC50 12800.0 nM 10.1016/s0960-894x(01)00388-2
Canis lupus familiaris MDCK MIC50 28300.0 nM 10.1016/s0960-894x(99)00631-9
Canis lupus familiaris MDCK MNCC 532.7 uM 10.1016/j.ejmech.2021.113161
Canis lupus familiaris MDCK MTC 660.9 uM 10.1021/jm00018a015
Canis lupus familiaris MDCK MTC50 1333.0 uM 10.1016/s0960-894x(99)00631-9
Canis lupus familiaris MDCK TC50 532.7 uM 10.1016/j.ejmech.2021.113161
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero CC50 2019700.0 nM 10.1016/j.bmcl.2019.04.043
Chlorocebus sabaeus Vero CC50 nan None 10.1016/j.bmcl.2023.129174
dengue virus type 2 dengue virus type 2 EC50 nan None 10.1016/j.bmcl.2023.129174
Enterovirus Enterovirus GI nan None 10.1021/jm00194a025
H3N2 subtype H3N2 subtype EC50 400.0 nM 10.1021/jm900950d
H3N2 subtype H3N2 subtype EC50 450.0 nM 10.1016/j.bmcl.2012.09.079
H3N2 subtype H3N2 subtype EC50 800.0 nM 10.1021/jm900950d
H3N2 subtype H3N2 subtype EC50 820.0 nM 10.1021/jm401340p
H3N2 subtype H3N2 subtype EC50 840.0 nM 10.1021/jm401340p
H3N2 subtype H3N2 subtype EC50 1900.0 nM 10.1016/j.ejmech.2018.08.058
H3N2 subtype H3N2 subtype EC50 2000.0 nM 10.1016/j.ejmech.2010.08.009
H3N2 subtype H3N2 subtype EC50 2300.0 nM 10.1016/j.ejmech.2012.10.030
H3N2 subtype H3N2 subtype EC50 3400.0 nM 10.1021/ml300279b
H3N2 subtype H3N2 subtype EC50 11000.0 nM 10.1016/j.ejmech.2018.08.058
H3N2 subtype H3N2 subtype EC90 0.22 uM 10.1021/jm401340p
H3N2 subtype H3N2 subtype EC99 1.1 uM 10.1021/jm401340p
H5N1 subtype H5N1 subtype IC50 3840.0 nM 10.1016/j.bmcl.2013.02.101
Hepatovirus A Hepatovirus A Activity 30.1 % 10.1016/j.ejmech.2009.04.001
Hepatovirus A Hepatovirus A Activity 45.2 % 10.1016/j.ejmech.2009.04.001
Hepatovirus A Hepatovirus A Inhibition 55.0 % 10.1016/j.bmc.2019.02.044
Herpesviridae sp. Herpesviridae sp. Activity nan None 10.1021/jm00194a025
Homo sapiens A549 FC 0.3 None 10.1021/acsmedchemlett.9b00155
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 101.0 % 10.1021/jm7015683
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cholecystokinin A receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 4 Activity -21.2 nanoampere 10.1124/dmd.111.042432
Homo sapiens Equilibrative nucleoside transporter 4 Activity -7.26 nanoampere 10.1124/dmd.111.042432
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose transporter Inhibition 5.47 % 10.6019/CHEMBL3433997
Homo sapiens Glutamate [NMDA] receptor Ki 10500.0 nM 10.1021/jm9704412
Homo sapiens Glutamate NMDA receptor; GRIN1/GRIN2A Ki 10000.0 nM 10.1016/j.bmc.2015.06.030
Homo sapiens HeLa IC50 660900.0 nM 10.1021/jm00018a015
Homo sapiens HeLa MIC50 100.0 ug.mL-1 10.1021/jm00044a010
Homo sapiens HeLa MTC 660.9 uM 10.1021/jm00018a015
Homo sapiens HeLa Tox50 500.0 uM 10.1021/jm00379a010
Homo sapiens HepG2 Inhibition 31.0 % 10.1038/nature09107
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Histone deacetylase 6 Inhibition -19.61 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.53 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 188.9 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 31.0 % 10.1021/jm060728b
Homo sapiens Homo sapiens CL 0.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 4.8 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 4.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 4.8 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 4.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 0.95 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.9 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.95 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 6.6 L.kg-1 10.1021/jm901371v
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 37800.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 5.0 % 10.1021/jm301302s
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 2818.4 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
Homo sapiens P-glycoprotein 1 % maximum response 2.1 % None
Homo sapiens P-glycoprotein 1 Papp 157.0 nm/s None
Homo sapiens P-glycoprotein 1 Papp 186.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 0.97 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 0.84 None None
Homo sapiens Phosphodiesterase 3A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 15848.9 nM None
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 842.9 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SH-SY5Y Activity nan None 10.1039/c4md00180j
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki 20.25 nM 10.1016/0960-894X(96)00067-4
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Signal transducer and activator of transcription 6 Potency 100000.0 nM None
Homo sapiens Solute carrier family 22 member 1 Activity 18.4 uM 10.1124/mol.63.3.489
Homo sapiens Solute carrier family 22 member 1 Activity nan None None
Homo sapiens Solute carrier family 22 member 1 IC50 39600.0 nM 10.1021/acs.jnatprod.2c00927
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1038/nrd3028
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1097/01.asn.0000019413.78751.46
Homo sapiens Solute carrier family 22 member 2 IC50 23000.0 nM 10.1124/mol.54.2.342
Homo sapiens Solute carrier family 22 member 2 IC50 45900.0 nM 10.1021/acs.jnatprod.2c00927
Homo sapiens Solute carrier family 22 member 2 Km 27000.0 nM 10.1124/mol.54.2.342
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 26.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 10.0 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 17.0 % 10.1021/jm300212s
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Thyroid stimulating hormone receptor Potency 6309.6 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Human alphaherpesvirus 1 Human alphaherpesvirus 1 CPE50 200.0 uM 10.1021/jm00379a010
Influenza A virus Influenza A virus Activity 3.9 % 10.1016/j.bmc.2015.06.030
Influenza A virus Influenza A virus Activity nan None 10.1016/j.ejmech.2015.09.037
Influenza A virus Influenza A virus Activity nan None 10.1016/j.ejmech.2018.09.065
Influenza A virus Influenza A virus Activity nan None 10.1021/acs.jmedchem.0c00312
Influenza A virus Influenza A virus Activity nan None 10.1021/acsmedchemlett.7b00458
Influenza A virus Influenza A virus Activity nan None 10.1021/jm101334y
Influenza A virus Influenza A virus Activity nan None 10.1021/jm500598u
Influenza A virus Influenza A virus Activity nan None 10.1039/C8MD00474A
Influenza A virus Influenza A virus EC50 0.054 ug.mL-1 10.1021/np9601871
Influenza A virus Influenza A virus EC50 0.054 ug.mL-1 10.1021/np960613i
Influenza A virus Influenza A virus EC50 0.2 ug.mL-1 10.1016/j.ejmech.2010.09.065
Influenza A virus Influenza A virus EC50 0.3 ug.mL-1 10.1016/j.ejmech.2010.09.065
Influenza A virus Influenza A virus EC50 18.0 ug.mL-1 10.1016/j.ejmech.2010.09.065
Influenza A virus Influenza A virus EC50 44.0 ug.mL-1 10.1016/j.ejmech.2010.09.065
Influenza A virus Influenza A virus EC50 87.0 ug.mL-1 10.1016/j.ejmech.2010.07.058
Influenza A virus Influenza A virus EC50 101.0 ug.mL-1 10.1016/j.ejmech.2010.07.058
Influenza A virus Influenza A virus EC50 115.0 ug.mL-1 10.1016/j.ejmech.2010.07.058
Influenza A virus Influenza A virus EC50 117.0 ug.mL-1 10.1016/j.ejmech.2010.07.058
Influenza A virus Influenza A virus EC50 230.0 nM 10.1016/j.ejmech.2018.09.065
Influenza A virus Influenza A virus EC50 300.0 nM 10.1016/j.ejmech.2013.05.046
Influenza A virus Influenza A virus EC50 300.0 nM 10.1021/acs.jmedchem.5b01910
Influenza A virus Influenza A virus EC50 340.0 nM 10.1021/jm500598u
Influenza A virus Influenza A virus EC50 430.0 nM 10.1039/C8MD00474A
Influenza A virus Influenza A virus EC50 480.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus Influenza A virus EC50 600.0 nM 10.1016/j.ejmech.2013.01.015
Influenza A virus Influenza A virus EC50 780.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus Influenza A virus EC50 800.0 nM 10.1016/j.ejmech.2013.06.036
Influenza A virus Influenza A virus EC50 1000.0 nM 10.1021/acs.jmedchem.8b00042
Influenza A virus Influenza A virus EC50 1400.0 nM 10.1016/j.bmc.2018.05.034
Influenza A virus Influenza A virus EC50 1800.0 nM 10.1016/j.bmc.2018.05.034
Influenza A virus Influenza A virus EC50 1900.0 nM 10.1016/j.ejmech.2013.01.015
Influenza A virus Influenza A virus EC50 1980.0 nM 10.1016/j.bmcl.2007.04.108
Influenza A virus Influenza A virus EC50 2000.0 nM 10.1016/j.bmc.2009.01.009
Influenza A virus Influenza A virus EC50 2000.0 nM 10.1021/ml300279b
Influenza A virus Influenza A virus EC50 2200.0 nM 10.1016/j.ejmech.2017.04.070
Influenza A virus Influenza A virus EC50 2300.0 nM 10.1016/j.ejmech.2017.04.070
Influenza A virus Influenza A virus EC50 2770.0 nM 10.1021/jm500598u
Influenza A virus Influenza A virus EC50 4100.0 nM 10.1016/j.ejmech.2012.03.007
Influenza A virus Influenza A virus EC50 4280.0 nM 10.1016/j.ejmech.2015.09.037
Influenza A virus Influenza A virus EC50 5000.0 nM 10.1016/j.ejmech.2012.03.007
Influenza A virus Influenza A virus EC50 5100.0 nM 10.1021/ml300279b
Influenza A virus Influenza A virus EC50 6400.0 nM 10.1016/j.bmcl.2023.129174
Influenza A virus Influenza A virus EC50 7000.0 nM 10.1016/j.bmcl.2010.03.080
Influenza A virus Influenza A virus EC50 7600.0 nM 10.1016/j.ejmech.2012.10.030
Influenza A virus Influenza A virus EC50 9200.0 nM 10.1016/j.bmcl.2010.03.080
Influenza A virus Influenza A virus EC50 10000.0 nM 10.1021/jm5007275
Influenza A virus Influenza A virus EC50 11000.0 nM 10.1021/ml300279b
Influenza A virus Influenza A virus EC50 17000.0 nM 10.1016/j.ejmech.2013.05.046
Influenza A virus Influenza A virus EC50 19000.0 nM 10.1016/j.bmcl.2010.03.080
Influenza A virus Influenza A virus EC50 20000.0 nM 10.1016/j.bmcl.2010.03.080
Influenza A virus Influenza A virus EC50 20000.0 nM 10.1016/j.ejmech.2019.111739
Influenza A virus Influenza A virus EC50 20000.0 nM 10.1021/ml500533x
Influenza A virus Influenza A virus EC50 20510.0 nM 10.1016/j.ejmech.2015.09.037
Influenza A virus Influenza A virus EC50 22500.0 nM 10.1021/acs.jmedchem.5b01910
Influenza A virus Influenza A virus EC50 22500.0 nM 10.1021/jm301538e
Influenza A virus Influenza A virus EC50 22600.0 nM 10.1016/j.ejmech.2019.111739
Influenza A virus Influenza A virus EC50 24000.0 nM 10.1021/jm500598u
Influenza A virus Influenza A virus EC50 26000.0 nM 10.1016/j.ejmech.2018.05.059
Influenza A virus Influenza A virus EC50 30000.0 nM 10.1016/j.ejmech.2015.04.030
Influenza A virus Influenza A virus EC50 30000.0 nM 10.1021/jm5005804
Influenza A virus Influenza A virus EC50 34000.0 nM 10.1016/j.ejmech.2015.04.030
Influenza A virus Influenza A virus EC50 34000.0 nM 10.1021/jm401340p
Influenza A virus Influenza A virus EC50 34000.0 nM 10.1021/jm5005804
Influenza A virus Influenza A virus EC50 35000.0 nM 10.1021/jm900950d
Influenza A virus Influenza A virus EC50 38000.0 nM 10.1021/jm401340p
Influenza A virus Influenza A virus EC50 45000.0 nM 10.1021/jm900950d
Influenza A virus Influenza A virus EC50 47000.0 nM 10.1016/j.bmc.2016.04.010
Influenza A virus Influenza A virus EC50 53000.0 nM 10.1021/ml300279b
Influenza A virus Influenza A virus EC50 58000.0 nM 10.1016/j.bmc.2012.09.064
Influenza A virus Influenza A virus EC50 61000.0 nM 10.1021/ml300279b
Influenza A virus Influenza A virus EC50 65500.0 nM 10.1007/s00044-012-0184-x
Influenza A virus Influenza A virus EC50 75000.0 nM 10.1016/j.bmc.2012.09.064
Influenza A virus Influenza A virus EC50 77000.0 nM 10.1016/j.bmc.2008.10.028
Influenza A virus Influenza A virus EC50 80000.0 nM 10.1021/ml500236n
Influenza A virus Influenza A virus EC50 85000.0 nM 10.1021/acs.jmedchem.7b00908
Influenza A virus Influenza A virus EC50 89000.0 nM 10.1016/j.ejmech.2012.03.007
Influenza A virus Influenza A virus EC50 100000.0 nM 10.1016/j.bmcl.2023.129174
Influenza A virus Influenza A virus EC50 100000.0 nM 10.1021/acs.jmedchem.8b00042
Influenza A virus Influenza A virus EC50 100000.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus Influenza A virus EC50 100000.0 nM 10.1021/jm801470b
Influenza A virus Influenza A virus EC50 100000.0 nM 10.1039/C8MD00474A
Influenza A virus Influenza A virus EC50 111000.0 nM 10.1016/j.bmcl.2014.06.018
Influenza A virus Influenza A virus EC50 140000.0 nM 10.1016/j.ejmech.2013.06.036
Influenza A virus Influenza A virus EC50 154000.0 nM 10.1016/j.ejmech.2012.03.007
Influenza A virus Influenza A virus EC50 178000.0 nM 10.1021/acs.jmedchem.7b00908
Influenza A virus Influenza A virus EC50 200000.0 nM 10.1016/j.ejmech.2015.09.037
Influenza A virus Influenza A virus EC50 208000.0 nM 10.1016/j.bmc.2012.09.064
Influenza A virus Influenza A virus EC50 212000.0 nM 10.1016/j.bmcl.2012.09.079
Influenza A virus Influenza A virus EC50 212000.0 nM 10.1016/j.bmcl.2014.06.018
Influenza A virus Influenza A virus EC50 224000.0 nM 10.1016/j.bmc.2012.09.064
Influenza A virus Influenza A virus EC50 224000.0 nM 10.1016/j.ejmech.2015.02.028
Influenza A virus Influenza A virus EC50 453000.0 nM 10.1016/j.ejmech.2015.02.028
Influenza A virus Influenza A virus EC50 500000.0 nM 10.1016/j.bmcl.2014.06.018
Influenza A virus Influenza A virus EC50 500000.0 nM 10.1016/j.ejmech.2018.08.058
Influenza A virus Influenza A virus EC50 532700.0 nM 10.1016/j.ejmech.2021.113161
Influenza A virus Influenza A virus EC50 nan None 10.1021/acsmedchemlett.7b00458
Influenza A virus Influenza A virus ED50 60.0 uM 10.1016/j.bmcl.2017.03.051
Influenza A virus Influenza A virus ED50 72.8 uM 10.1016/j.ejmech.2016.10.035
Influenza A virus Influenza A virus IC50 0.92 ug.mL-1 10.1021/np900158f
Influenza A virus Influenza A virus IC50 15.0 ug.mL-1 10.1021/np060303s
Influenza A virus Influenza A virus IC50 330.0 nM 10.1021/acsmedchemlett.6b00311
Influenza A virus Influenza A virus IC50 480.0 nM 10.1021/acsmedchemlett.6b00311
Influenza A virus Influenza A virus IC50 820.0 nM 10.1016/j.ejmech.2015.02.006
Influenza A virus Influenza A virus IC50 1250.0 nM 10.1016/0960-894X(96)00070-4
Influenza A virus Influenza A virus IC50 2220.0 nM 10.1021/jm2013503
Influenza A virus Influenza A virus IC50 2380.0 nM 10.1016/j.bmcl.2011.12.076
Influenza A virus Influenza A virus IC50 3840.0 nM 10.1016/j.bmcl.2013.02.101
Influenza A virus Influenza A virus IC50 5960.0 nM 10.1021/jm901664a
Influenza A virus Influenza A virus IC50 13000.0 nM 10.1016/j.ejmech.2015.09.037
Influenza A virus Influenza A virus IC50 21110.0 nM 10.1016/j.ejmech.2010.10.010
Influenza A virus Influenza A virus IC50 50000.0 nM 10.1016/j.bmc.2008.11.075
Influenza A virus Influenza A virus IC50 50000.0 nM 10.1021/jm2013503
Influenza A virus Influenza A virus IC50 64000.0 nM 10.1039/C8MD00442K
Influenza A virus Influenza A virus IC50 64200.0 nM 10.1039/C6MD00657D
Influenza A virus Influenza A virus IC50 100000.0 nM 10.1016/j.ejmech.2015.12.013
Influenza A virus Influenza A virus IC50 200000.0 nM 10.1016/j.ejmech.2015.02.006
Influenza A virus Influenza A virus IC50 337200.0 nM 10.1016/j.ejmech.2015.12.013
Influenza A virus Influenza A virus IC50 nan None 10.1016/j.ejmech.2015.12.013
Influenza A virus Influenza A virus IC90 1.73 ug.mL-1 10.1021/np900158f
Influenza A virus Influenza A virus Inhibition 77.0 % 10.1128/aac.00506-08
Influenza A virus Influenza A virus Survival 50.0 % 10.1128/aac.00506-08
Influenza A virus Matrix protein 2 Activity nan None 10.1021/jm901664a
Influenza A virus Matrix protein 2 deltaG -7.77 kcal/mol 10.1021/acsmedchemlett.6b00311
Influenza A virus Matrix protein 2 deltaH -6.66 kcal/mol 10.1021/acsmedchemlett.6b00311
Influenza A virus Matrix protein 2 IC50 16000.0 nM 10.1021/jm101334y
Influenza A virus Matrix protein 2 IC50 199900.0 nM 10.1021/jm101334y
Influenza A virus Matrix protein 2 IC50 199900.0 nM 10.1021/jm401340p
Influenza A virus Matrix protein 2 IC50 199900.0 nM 10.1021/jm5005804
Influenza A virus Matrix protein 2 IC50 nan None 10.1021/jm101334y
Influenza A virus Matrix protein 2 IC50 nan None 10.1021/jm401340p
Influenza A virus Matrix protein 2 IC50 nan None 10.1021/jm5005804
Influenza A virus Matrix protein 2 Inhibition 10.8 % 10.1021/jm101334y
Influenza A virus Matrix protein 2 Inhibition 10.8 % 10.1021/jm401340p
Influenza A virus Matrix protein 2 Inhibition 10.8 % 10.1021/jm5005804
Influenza A virus Matrix protein 2 Inhibition 35.6 % 10.1021/jm101334y
Influenza A virus Matrix protein 2 Inhibition 35.6 % 10.1021/jm401340p
Influenza A virus Matrix protein 2 Inhibition 35.6 % 10.1021/jm5005804
Influenza A virus Matrix protein 2 Inhibition 90.0 % 10.1021/acsmedchemlett.6b00311
Influenza A virus Matrix protein 2 Inhibition 91.0 % 10.1021/jm101334y
Influenza A virus Matrix protein 2 Inhibition 95.0 % 10.1021/acsmedchemlett.6b00311
Influenza A virus Matrix protein 2 Inhibition nan % 10.1021/jm901664a
Influenza A virus Matrix protein 2 Kd 320.0 nM 10.1016/j.bmcl.2010.05.049
Influenza A virus Matrix protein 2 Kd 2170.0 nM 10.1021/acsmedchemlett.6b00311
Influenza A virus Matrix protein 2 -TdeltaS -1.11 kcal/mol 10.1021/acsmedchemlett.6b00311
Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) EC50 44000.0 nM 10.1016/j.bmc.2016.04.010
Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) EC50 100000.0 nM 10.1021/acs.jmedchem.8b00042
Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 64000.0 nM 10.1016/j.bmcl.2019.126745
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Activity 38.0 degree 10.1021/acs.jmedchem.6b01115
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Activity nan None 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 deltaG nan None 10.1021/acs.jmedchem.6b01115
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 deltaH nan None 10.1021/acs.jmedchem.6b01115
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 EC50 660.0 nM 10.1016/j.ejmech.2018.09.065
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 EC50 660.0 nM 10.1039/C8MD00474A
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 EC50 nan None 10.1016/j.ejmech.2018.09.065
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 EC50 nan None 10.1039/C8MD00474A
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 IC50 4700.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 IC50 12500.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 IC50 16000.0 nM 10.1021/jm5005804
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 IC50 16100.0 nM 10.1021/acs.jmedchem.5b01910
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 IC50 500000.0 nM 10.1021/jm401340p
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 35.0 % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 36.0 % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 36.3 % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 90.0 % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 91.0 % 10.1021/jm5005804
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 93.8 % 10.1016/j.ejmech.2015.12.013
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition 95.0 % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Inhibition nan % 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 0.003 /s 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 0.03 /s 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 0.16 /s 10.1021/acs.jmedchem.6b01758
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 143.0 /M/s 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 293.0 /M/s 10.1021/acs.jmedchem.6b01758
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 327.0 /M/s 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 K 360.0 /M/s 10.1021/acs.jmedchem.6b01758
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Kd 2170.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Kd 9000.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Kd 12000.0 nM 10.1021/acs.jmedchem.6b01115
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Kd 210000.0 nM 10.1021/acsmedchemlett.7b00458
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 Kd nan None 10.1021/acs.jmedchem.6b01115
Influenza A virus (A/Udorn/307/1972(H3N2)) Influenza virus A matrix protein M2 -TdeltaS nan None 10.1021/acs.jmedchem.6b01115
Influenza A virus H3N2 Influenza A virus H3N2 EC50 30.0 nM 10.1016/j.ejmech.2019.111739
Influenza A virus H3N2 Influenza A virus H3N2 EC50 200.0 nM 10.1016/j.ejmech.2019.111739
Influenza A virus H3N2 Influenza A virus H3N2 EC50 1200.0 nM 10.1016/j.bmc.2019.115130
Influenza A virus H3N2 Influenza A virus H3N2 EC50 1500.0 nM 10.1007/s00044-012-0184-x
Influenza A virus H3N2 Influenza A virus H3N2 EC50 1600.0 nM 10.1016/j.bmc.2018.05.034
Influenza A virus H3N2 Influenza A virus H3N2 EC50 2000.0 nM 10.1016/j.bmc.2018.05.034
Influenza A virus H3N2 Influenza A virus H3N2 EC50 2700.0 nM 10.1016/j.bmc.2008.10.028
Influenza A virus H3N2 Influenza A virus H3N2 EC50 3800.0 nM 10.1016/j.bmc.2019.115130
Influenza A virus H3N2 Influenza A virus H3N2 EC50 75300.0 nM 10.1021/jm801470b
Influenza A virus H3N2 Influenza A virus H3N2 EC50 100000.0 nM 10.1021/jm801470b
Influenza A virus H3N2 Influenza A virus H3N2 IC50 500.0 nM 10.1039/C4MD00515E
Influenza A virus H3N2 Influenza A virus H3N2 IC50 630.0 nM 10.1016/j.bmc.2008.11.075
Influenza B virus Influenza B virus Activity nan None 10.1016/j.bmc.2008.10.028
Influenza B virus Influenza B virus Activity nan None 10.1016/j.bmc.2009.01.009
Influenza B virus Influenza B virus Activity nan None 10.1021/jm5005804
Influenza B virus Influenza B virus EC50 200.0 ug.mL-1 10.1016/j.ejmech.2010.09.065
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1016/j.bmc.2018.05.034
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1016/j.bmcl.2023.129174
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1016/j.ejmech.2013.01.015
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1016/j.ejmech.2019.111739
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1021/jm801470b
Influenza B virus Influenza B virus EC50 100000.0 nM 10.1021/ml300279b
Influenza B virus Influenza B virus EC50 143840.0 nM 10.1016/j.ejmech.2015.09.037
Influenza B virus Influenza B virus EC50 200000.0 nM 10.1016/j.ejmech.2012.03.007
Influenza B virus Influenza B virus EC50 200000.0 nM 10.1016/j.ejmech.2013.05.046
Influenza B virus Influenza B virus EC50 200000.0 nM 10.1016/j.ejmech.2013.06.036
Influenza B virus Influenza B virus EC50 400000.0 nM 10.1016/j.ejmech.2017.04.070
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1007/s00044-012-0184-x
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.bmc.2012.09.064
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.bmcl.2010.03.080
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.bmcl.2012.09.079
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.bmcl.2014.06.018
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.ejmech.2012.10.030
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.ejmech.2015.02.028
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.ejmech.2018.05.059
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1016/j.ejmech.2018.08.058
Influenza B virus Influenza B virus EC50 500000.0 nM 10.1021/jm401340p
Influenza B virus Influenza B virus EC50 nan None 10.1016/j.ejmech.2010.07.058
Influenza B virus Influenza B virus GI nan None 10.1021/jm00194a025
Influenza B virus Influenza B virus IC50 50000.0 nM 10.1016/j.bmc.2008.11.075
Influenza B virus Influenza B virus Inhibition nan % 10.1021/jm900950d
Leishmania donovani Leishmania donovani IC50 198340.0 nM 10.6019/CHEMBL3392926
Leishmania donovani Leishmania donovani IC50 595030.0 nM 10.6019/CHEMBL3392926
Leishmania mexicana Glucose transporter Inhibition 4.45 % 10.6019/CHEMBL3433997
Macaca fascicularis Brain Fu 0.1 None 10.1124/dmd.111.038778
Macaca fascicularis Cynomolgus monkey Activity nan None 10.1021/jm401622k
Mesocricetus auratus BHK-21 CC50 nan None 10.1016/j.bmcl.2023.129174
Mus musculus Brain Fu 0.181 None 10.1124/dmd.111.038778
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus Activity 5.0 None 10.1021/jm00229a022
Mus musculus Mus musculus Activity 44.0 None 10.1021/jm00343a010
Mus musculus Mus musculus Activity 87.0 None 10.1021/jm00343a010
Mus musculus Mus musculus Activity 201.0 None 10.1021/jm00343a010
Mus musculus Mus musculus Activity 243.0 None 10.1021/jm00343a010
Mus musculus Mus musculus Activity nan None 10.1021/jm00194a025
Mus musculus Mus musculus Activity nan None 10.1021/jm00229a022
Mus musculus Mus musculus ED50 17.0 mg.kg-1 10.1021/jm00106a053
Mus musculus Mus musculus LD50 245.0 mg.kg-1 10.1021/jm00194a025
Mus musculus Mus musculus LD50 900.0 mg.kg-1 10.1021/jm00194a025
Mus musculus Mus musculus LD50 1000.0 mg.kg-1 10.1021/jm00106a053
Mus musculus Mus musculus LD50 1100.0 umol.kg-1 10.1021/jm00229a022
Mus musculus Mus musculus LD50 2100.0 umol.kg-1 10.1021/jm00229a022
Mus musculus Mus musculus Mean score 1.1 None 10.1021/jm00106a053
Mus musculus Mus musculus Mean score 1.7 None 10.1021/jm00106a053
Mus musculus Mus musculus Net turns/min 1.1 None 10.1021/jm00343a010
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryza sativa Japonica Group Os06g0676700 protein Potency 28183.8 nM None
Plasmodium falciparum Hexose transporter 1 Inhibition 5.42 % 10.6019/CHEMBL3433997
Plasmodium falciparum Plasmodium falciparum IC50 5670.0 nM 10.6019/CHEMBL3392926
Plasmodium falciparum Plasmodium falciparum Inhibition 0.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 98.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM None
Plasmodium falciparum Plasmodium falciparum XC50 164.46 nM 10.1038/nature09107
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Brain Fu 0.147 None 10.1124/dmd.111.038778
Rattus norvegicus Brain Fu 0.213 None 10.1124/dmd.111.038778
Rattus norvegicus Brain Fu 0.233 None 10.1021/jm801441s
Rattus norvegicus Brain Fu 0.29 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Kp 2.83 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Vd 9.9 L.kg-1 10.1124/dmd.110.035998
Rattus norvegicus Cyclooxygenase-1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate NMDA receptor IC50 92000.0 nM 10.1016/j.bmc.2008.10.028
Rattus norvegicus Glutamate NMDA receptor IC50 92000.0 nM 10.1016/j.bmc.2009.02.007
Rattus norvegicus Glutamate NMDA receptor IC50 92000.0 nM 10.1016/j.bmc.2009.11.017
Rattus norvegicus Glutamate NMDA receptor IC50 92000.0 nM 10.1016/j.bmcl.2014.05.105
Rattus norvegicus Glutamate NMDA receptor IC50 358000.0 nM 10.1016/j.bmc.2008.10.028
Rattus norvegicus Glutamate NMDA receptor IC50 358000.0 nM 10.1016/j.bmc.2009.11.017
Rattus norvegicus Glutamate NMDA receptor; Grin1/Grin2a IC50 40000.0 nM 10.1016/j.ejmech.2022.114354
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None 10.1016/j.bmc.2011.05.034
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Peripheral myelin protein 22 Potency 16136.6 nM None
Rattus norvegicus Plasma Fu 0.33 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00229a022
Rattus norvegicus Rattus norvegicus ALB 40800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 355.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 377.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 416.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 432.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 440.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 501.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 44.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 47.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 66.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 69.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 73.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 90.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 106.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 126.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 153.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 610.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 670.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 673.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 690.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 721.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 733.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 227.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 268.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 431.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 444.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 446.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 601.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 19.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 49.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 58.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1373.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1470.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1490.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1525.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1545.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1656.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.88 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 142800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 146700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 149000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 138.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 167.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 212.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 301.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 336.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 367.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10747.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11823.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12577.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14460.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15618.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 17634.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.63 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.85 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.33 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.7 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.92 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 397700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 400000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.5 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.23 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.85 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 83.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 94.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 106.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 169.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 192.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 391.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 815.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 896.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 940.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 971.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1002.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1148.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 114.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 120.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1200330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1206670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1216330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1223500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1246170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1304330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.12 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.25 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.36 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.52 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.73 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5520000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5530000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5620000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5840000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5950000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6060000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12870.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13600.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16730.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 18770.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Solute carrier family 22 member 1 Activity nan None 10.1124/jpet.102.038885
Rattus norvegicus Solute carrier family 22 member 1 IC50 76300.0 nM 10.1124/dmd.104.002519
Rattus norvegicus Solute carrier family 22 member 1 IC50 280000.0 nM 10.1124/jpet.102.038885
Rattus norvegicus Solute carrier family 22 member 1 IC50 500000.0 nM 10.1124/jpet.102.038885
Rattus norvegicus Solute carrier family 22 member 2 Activity nan None 10.1124/jpet.102.038885
Rattus norvegicus Solute carrier family 22 member 2 IC50 210000.0 nM 10.1124/jpet.102.038885
Rattus norvegicus Solute carrier family 22 member 2 IC50 270900.0 nM 10.1124/dmd.104.002519
Rattus norvegicus Solute carrier family 22 member 2 IC50 290000.0 nM 10.1124/jpet.102.038885
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 5.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 12589.3 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Respirovirus muris Respirovirus muris Activity nan None 10.1021/jm00194a025
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity 443.0 uM 10.1039/C8MD00474A
Saccharomyces cerevisiae Saccharomyces cerevisiae CC50 443000.0 nM 10.1016/j.ejmech.2018.09.065
Semliki Forest virus Semliki Forest virus Activity nan None 10.1021/jm00194a025
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 nan None 10.1016/j.bmcl.2023.129174
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.207 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Trypanosoma brucei 6-phospho-1-fructokinase Potency 3013.1 nM None
Trypanosoma brucei Trypanosoma brucei IC50 130000.0 nM 10.1016/j.bmc.2008.10.028
Trypanosoma brucei Trypanosoma brucei IC50 130000.0 nM 10.1016/j.bmc.2009.02.007
Trypanosoma brucei Trypanosoma brucei IC50 130000.0 nM 10.1016/j.bmcl.2007.04.108
Trypanosoma brucei Trypanosoma brucei IC50 132000.0 nM 10.1039/C3MD00081H
Trypanosoma brucei Trypanosoma brucei IC90 132000.0 nM 10.1039/C3MD00081H
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 52760.0 nM 10.6019/CHEMBL3392926
Trypanosoma cruzi Trypanosoma cruzi IC50 371300.0 nM 10.6019/CHEMBL3392926
unidentified influenza virus unidentified influenza virus Activity 0.05 ug ml-1 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus PD50 4.0 mg kg-1 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus PD50 6.0 mg kg-1 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus Survival 0.0 % 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus Survival 67.0 % 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus Survival 72.0 % 10.1021/jm00194a025
unidentified influenza virus unidentified influenza virus Survival 77.0 % 10.1021/jm00194a025
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CC50 100.0 ug.mL-1 10.1016/s0960-894x(01)00362-6
None ADMET CL 4.8 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET Drugexcretion 5.0 % 10.1016/j.ejmech.2011.01.047
None ADMET Drugexcretion 65.0 % 10.1016/j.ejmech.2011.01.047
None ADMET EC50 100.0 ug.mL-1 10.1016/s0960-894x(01)00362-6
None ADMET F 79.0 % 10.1021/jm0000564
None ADMET Fu 0.178 None 10.1124/dmd.111.038778
None ADMET Fu 0.33 None 10.1021/jm030408h
None ADMET Kpot A,B 0.01 None 10.1016/s0960-894x(99)00395-9
None ADMET Kpot A,B 1.2 None 10.1016/s0960-894x(99)00395-9
None ADMET Kpot A,B 1.85 None 10.1016/s0960-894x(99)00395-9
None ADMET Kpot A,B 14.8 None 10.1016/s0960-894x(99)00395-9
None ADMET MRT 23.0 hr 10.1124/dmd.108.020479
None ADMET Selectivity ratio 20.0 None 10.1124/dmd.112.044875
None ADMET T1/2 16.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 6.6 L.kg-1 10.1021/jm030408h
None ADMET Vdss 6.6 L.kg-1 10.1124/dmd.108.020479
None Epithelial cell EC50 1333000.0 nM 10.1016/s0960-894x(03)00231-2
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity LTKB_BD DILI severity score 3.0 None 10.1016/j.drudis.2011.05.007
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports nan None 10.2174/1570163043334794
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2016.05.008
None NON-PROTEIN TARGET EC50 40.0 nM 10.1016/j.ejmech.2016.05.008
None NON-PROTEIN TARGET EC50 140.0 nM 10.1016/j.ejmech.2015.04.030
None NON-PROTEIN TARGET EC50 450.0 nM 10.1016/j.bmcl.2014.06.018
None NON-PROTEIN TARGET EC50 500.0 nM 10.1016/j.bmcl.2014.06.018
None NON-PROTEIN TARGET EC50 1400.0 nM 10.1016/j.ejmech.2015.04.030
None NON-PROTEIN TARGET EC50 1400.0 nM 10.1021/jm5005804
None NON-PROTEIN TARGET EC50 1800.0 nM 10.1016/j.ejmech.2015.02.028
None NON-PROTEIN TARGET EC50 2000.0 nM 10.1016/j.ejmech.2015.02.028
None NON-PROTEIN TARGET EC50 10000.0 nM 10.1021/jm5007275
None NON-PROTEIN TARGET EC50 64200.0 nM 10.1016/j.bmc.2013.08.014
None NON-PROTEIN TARGET EC50 240000.0 nM 10.1021/jm500598u
None NON-PROTEIN TARGET EC50 nan None 10.1021/jm5007275
None NON-PROTEIN TARGET EC99 0.72 uM 10.1016/j.ejmech.2015.04.030
None NON-PROTEIN TARGET EC99 1.1 uM 10.1021/jm5005804
None NON-PROTEIN TARGET ED50 64.2 uM 10.1016/j.bmc.2014.02.038
None NON-PROTEIN TARGET Fu 0.171 None 10.1124/dmd.111.038778
None NON-PROTEIN TARGET Fu 0.33 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET IC50 10780.0 nM 10.1016/j.bmcl.2014.04.057
None NON-PROTEIN TARGET IC50 198340.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 214870.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET Inhibition 0.49 % 10.1016/j.bmc.2011.05.034
None NON-PROTEIN TARGET Inhibition 1.34 % 10.1016/j.bmc.2011.05.034
None NON-PROTEIN TARGET Inhibition 1.62 % 10.1016/j.bmc.2011.05.034
None NON-PROTEIN TARGET Inhibition 90.0 % 10.1016/j.ejmech.2016.05.008
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.bmc.2011.05.034
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.ejmech.2016.05.008
None NON-PROTEIN TARGET MIC50 0.8 ug.mL-1 10.1021/jm950891z
None NON-PROTEIN TARGET Potency 4.7 nM None
None NON-PROTEIN TARGET Selectivity Index 57.39 None 10.1016/j.bmcl.2013.02.101
None No relevant target LogD -1.86 None 10.1021/jm0000564
None No relevant target LogD 0.0 None 10.1021/jm801441s
None No relevant target LogD7.4 -0.98 None 10.6019/CHEMBL3301361
None No relevant target LogP 1.77 None 10.1016/s0960-894x(99)00395-9
None No relevant target LogP 2.44 None 10.1016/j.ejmech.2015.04.030
None No relevant target LogP 2.44 None 10.1021/jm00343a010
None No relevant target LogP 2.44 None 10.1021/jm070524a
None No relevant target LogP 2.82 None 10.1021/jm801441s
None No relevant target pKa 10.55 None 10.1021/jm070524a
None No relevant target pKa 10.58 None 10.1007/s11095-013-1232-z
None No relevant target pKa 10.63 None 10.1021/jm00343a010
None No relevant target pKa 10.68 None 10.1007/s11095-013-1232-z
None No relevant target pKa 10.68 None 10.1021/jm030408h
None No relevant target pKa 10.8 None 10.1021/jm0000564
None No relevant target pKa 10.8 None 10.1021/jm801441s
None No relevant target pKa 10.8 None 10.1124/dmd.110.035998
None No relevant target Solubility 2120.0 ug.mL-1 10.1016/j.bmc.2010.08.003
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Radical scavenging activity Inhibition 0.55 % 10.1016/j.bmc.2011.05.034
None Radical scavenging activity Inhibition 2.11 % 10.1016/j.bmc.2011.05.034
None Radical scavenging activity Inhibition 2.32 % 10.1016/j.bmc.2011.05.034
None Radical scavenging activity Inhibition nan % 10.1016/j.bmc.2011.05.034
None Unchecked Ac50 0.2818 uM None
None Unchecked Ac50 8.913 uM None
None Unchecked Ac50 12.59 uM None
None Unchecked Ac50 35.48 uM None
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 290.0 nM None
None Unchecked AC50 8912.5 nM None
None Unchecked AC50 12589.3 nM None
None Unchecked AC50 35481.3 nM None
None Unchecked AC50 44668.4 nM None
None Unchecked Activity 14.0 % 10.1021/jm500598u
None Unchecked Activity 22.0 degree 10.1021/acs.jmedchem.6b01115
None Unchecked Activity 32.0 degree 10.1021/acs.jmedchem.6b01115
None Unchecked Activity 47.4 % 10.1016/j.bmc.2008.10.028
None Unchecked Activity 75.0 % 10.1021/jm500598u
None Unchecked Activity 115.7 % 10.1021/jm070524a
None Unchecked deltaG -32.51 kJ/mol 10.1021/acs.jmedchem.6b01115
None Unchecked deltaH -27.87 kJ/mol 10.1021/acs.jmedchem.6b01115
None Unchecked EC50 100.0 nM 10.1016/j.ejmech.2016.05.008
None Unchecked EC50 140.0 nM 10.1021/acs.jmedchem.6b01758
None Unchecked EC50 37300.0 nM 10.1016/j.bmcl.2019.04.043
None Unchecked EC50 124000.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 211000.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 400000.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 500000.0 nM 10.1021/acs.jmedchem.7b00908
None Unchecked EC99 0.51 uM 10.1021/acs.jmedchem.6b01758
None Unchecked ED50 64.2 uM 10.1016/j.ejmech.2016.10.035
None Unchecked Enhancement nan None 10.1016/s0960-894x(01)00174-3
None Unchecked IC50 270.0 nM 10.1021/acs.jmedchem.6b01115
None Unchecked IC50 1600.0 nM 10.1021/jm500598u
None Unchecked IC50 3525.0 nM 10.1021/jm901664a
None Unchecked IC50 8800.0 nM 10.1021/jm901664a
None Unchecked IC50 16000.0 nM 10.1021/jm401340p
None Unchecked IC50 31983.0 nM None
None Unchecked IC50 37200.0 nM 10.1016/j.bmcl.2019.04.043
None Unchecked IC50 92000.0 nM 10.1016/j.bmc.2011.11.050
None Unchecked IC50 199900.0 nM 10.1021/acs.jmedchem.5b01910
None Unchecked IC50 358000.0 nM 10.1016/j.bmc.2009.02.007
None Unchecked IC50 358000.0 nM 10.1016/j.bmc.2011.11.050
None Unchecked IC50 2500000.0 nM 10.1016/j.ejmech.2019.111644
None Unchecked IC50 nan None 10.1021/acs.jmedchem.6b01115
None Unchecked IC50 nan None None
None Unchecked IFI 1.42 % 10.1038/nature09107
None Unchecked Inhibition 2.0 % 10.1021/acs.jmedchem.6b01115
None Unchecked Inhibition 2.76 % 10.1039/C4MD00244J
None Unchecked Inhibition 24.3 % 10.1016/j.ejmech.2015.12.013
None Unchecked Inhibition 75.0 % 10.1021/acs.jmedchem.6b01115
None Unchecked Inhibition 83.1 % 10.1016/j.bmc.2011.05.034
None Unchecked Inhibition 83.1 % 10.1016/j.ejmech.2011.08.008
None Unchecked Inhibition 84.6 % 10.1039/C4MD00244J
None Unchecked Inhibition 85.0 % 10.1021/jm101334y
None Unchecked Inhibition 86.13 % 10.1016/j.bmc.2011.05.034
None Unchecked Inhibition 86.13 % 10.1016/j.ejmech.2011.08.008
None Unchecked Inhibition 91.0 % 10.1021/jm401340p
None Unchecked Inhibition 100.0 % 10.1016/j.ejmech.2019.111644
None Unchecked Inhibition nan % 10.1021/jm901664a
None Unchecked Kd 2170.0 nM 10.1021/acs.jmedchem.6b01115
None Unchecked Kd 3900.0 nM 10.1021/jm101334y
None Unchecked Kd 9000.0 nM 10.1021/acs.jmedchem.6b01115
None Unchecked Ki 10000.0 nM 10.1016/j.ejmech.2020.112617
None Unchecked Ki 11000.0 nM 10.1016/j.bmc.2015.06.030
None Unchecked Ki 21666.0 nM None
None Unchecked Ki nan None None
None Unchecked Potency 1299.0 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio 51.0 None 10.1016/j.bmcl.2007.04.108
None Unchecked Ratio 250.0 None 10.1016/j.bmc.2009.01.009
None Unchecked Ratio CC50/EC50 4.0 None 10.1039/C6MD00657D
None Unchecked Ratio CC50/EC50 54.15 None 10.1016/j.bmcl.2019.04.043
None Unchecked Ratio CC50/EC50 235.3 None 10.1039/C8MD00474A
None Unchecked Ratio CC50/EC50 1917.3 None 10.1016/j.ejmech.2018.09.065
None Unchecked Ratio CC50/IC50 4.0 None 10.1039/C8MD00442K
None Unchecked Ratio CC50/IC50 20.27 None 10.1016/j.bmcl.2014.04.057
None Unchecked Ratio CC50/IC50 57.39 None 10.1016/j.bmcl.2013.02.101
None Unchecked Ratio CC50/IC50 92.59 None 10.1016/j.bmcl.2011.12.076
None Unchecked Ratio IC50 1.16 None 10.1021/acs.jnatprod.2c00927
None Unchecked Ratio IC50/EC50 1000.0 None 10.1021/np960613i
None Unchecked Selectivity Index 4.0 None 10.1016/j.bmc.2013.08.014
None Unchecked Selectivity Index 4.0 None 10.1016/j.bmc.2014.02.038
None Unchecked Selectivity Index 4.0 None 10.1016/j.bmcl.2017.03.051
None Unchecked Selectivity Index 4.0 None 10.1016/j.bmcl.2019.126745
None Unchecked Selectivity Index 4.0 None 10.1016/j.ejmech.2016.10.035
None Unchecked Selectivity Index 51.0 None 10.1016/j.ejmech.2010.08.009
None Unchecked Selectivity Index nan None 10.1016/j.ejmech.2021.113161
None Unchecked SI 1211.8 None 10.1016/s0960-894x(03)00231-2
None Unchecked -TdeltaS -4.64 kJ/mol 10.1021/acs.jmedchem.6b01115

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004615 CC(=O)[CoA].NC12CC3CC(CC(C3)C1)C2>>CC(=O)NC12CC3CC(CC(C3)C1)C2 enzymemap_31483