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name Structure Reference Source Properties Activities Metabolism

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

AlkaPlorer ID: AK016883

Synonym: None

IUPAC Name: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Structure

SMILES: N=C1C=CN([C@H]2CC[C@@H](CO)O2)C(O)=N1

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InChI: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1

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InChIKey: WREGKURFCTUGRC-POYBYMJQSA-N

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Reference

PubChem CID: 24066

CAS: 7481-89-2

NPASS: NPC487916

Source

Species Genus Family Order Class Phylum Kingdom Domain
Aplysina archeri Aplysina Aplysinidae Verongiida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 211.221

TPSA？: 91.36

MolLogP？: -0.2619300000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 3.66 % 10.6019/CHEMBL4513141
Candida albicans Candida albicans Inhibition 0.46 % 10.6019/CHEMBL4513141
Chlorocebus sabaeus Vero CC50 0.49 ug.mL-1 10.1021/jm9705869
Chlorocebus sabaeus Vero CCID50 500.0 uM 10.1016/0960-894X(95)00472-6
Chlorocebus sabaeus Vero IC50 0.02 ug.mL-1 10.1021/jm9705869
Chlorocebus sabaeus Vero IC50 nan nM 10.1016/s0960-894x(00)00418-2
Cricetulus griseus CHO Aberrant cells 3.0 % 10.1021/jm0495172
Cricetulus griseus CHO Aberrant cells 8.0 % 10.1021/jm0495172
Cricetulus griseus CHO Aberrant cells 9.5 % 10.1021/jm0495172
Cricetulus griseus CHO Growth 65.0 % 10.1021/jm0495172
Cricetulus griseus CHO Growth 101.0 % 10.1021/jm0495172
Cricetulus griseus CHO Growth 105.0 % 10.1021/jm0495172
Cryptococcus neoformans Cryptococcus neoformans Inhibition -0.26 % 10.6019/CHEMBL4513141
Drosophila melanogaster Deoxynucleoside kinase Activity 2005.0 microM/min/mg 10.1016/j.bmcl.2009.12.097
Escherichia coli Escherichia coli Inhibition -9.44 % 10.6019/CHEMBL4513141
Feline leukemia virus Feline leukemia virus ED50 15.0 uM 10.1021/np50082a020
Hepacivirus hominis Hepatitis C virus EC50 nan nM 10.1021/jm034265a
Hepatitis B virus Hepatitis B virus EC50 2300.0 nM 10.1016/s0960-894x(00)00418-2
Hepatitis B virus Hepatitis B virus EC50 nan nM 10.1021/jm034265a
Homo sapiens Adenosine A1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ATH-8 cell line Cytotoxicity 0.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Cytotoxicity 0.0 % 10.1021/jm00388a020
Homo sapiens ATH-8 cell line Cytotoxicity 1.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Cytotoxicity 6.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Cytotoxicity 9.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Cytotoxicity 30.0 % 10.1021/jm00388a020
Homo sapiens ATH-8 cell line ED50 0.2 uM 10.1021/jm00391a003
Homo sapiens ATH-8 cell line ID50 35.0 uM 10.1021/jm00391a003
Homo sapiens ATH-8 cell line MIC 500.0 nM 10.1021/jm00159a001
Homo sapiens ATH-8 cell line Protection 88.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Protection 93.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line Protection 100.0 % 10.1021/jm00090a008
Homo sapiens ATH-8 cell line SI 50.0 None 10.1021/jm00159a001
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bloom syndrome protein Potency 199526.2 nM None
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens C8166 CD50 1000.0 uM 10.1021/jm00170a015
Homo sapiens C8166 IC50 125.0 nM 10.1021/jm00170a015
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens CCRF-CEM EC50 189.0 nM 10.1021/jm950797i
Homo sapiens CCRF-CEM EC50 300.0 nM 10.1021/jm00090a008
Homo sapiens CCRF-CEM ED50 1e-07 M 10.1016/S0960-894X(01)81206-3
Homo sapiens CCRF-CEM IC50 0.05 ug.mL-1 10.1021/jm00081a015
Homo sapiens CCRF-CEM IC50 22.0 nM 10.1021/jm00032a013
Homo sapiens CCRF-CEM IC50 70.0 nM 10.1021/jm9705723
Homo sapiens CCRF-CEM IC50 10000.0 nM 10.1021/jm9705723
Homo sapiens CCRF-CEM IC50 28000.0 nM 10.1021/jm00032a013
Homo sapiens CCRF-CEM IC50 47340.0 nM 10.1021/jm950797i
Homo sapiens CCRF-CEM IC50 70000.0 nM 10.1021/jm00032a013
Homo sapiens CCRF-CEM IC50 100000.0 nM 10.1021/jm00032a013
Homo sapiens CCRF-CEM IC50 120000.0 nM 10.1021/jm00090a008
Homo sapiens CCRF-CEM ID50 0.007 ug ml-1 10.1021/jm00170a017
Homo sapiens CCRF-CEM ID50 0.04 uM 10.1016/S0960-894X(01)81093-3
Homo sapiens CCRF-CEM ID50 0.1 uM 10.1016/S0960-894X(01)81093-3
Homo sapiens CCRF-CEM ID50 5.0 uM 10.1021/jm034265a
Homo sapiens CCRF-CEM Selectivity index 53.0 None 10.1021/jm9607921
Homo sapiens CCRF-CEM TAI 63.0 None 10.1021/jm00081a015
Homo sapiens CCRF-CEM TC25 5.3 ug ml-1 10.1021/jm00081a015
Homo sapiens CCRF-CEM TCID50 1.3 ug ml-1 10.1021/jm00170a017
Homo sapiens CCRF-CEM Toxicity 0.1 None 10.1016/S0960-894X(01)81093-3
Homo sapiens CEM-SS CC50 10000.0 nM 10.1021/jm9607921
Homo sapiens CEM-SS CC50 16000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens CEM-SS CC50 46000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens CEM-SS CC50 nan None 10.1016/j.bmc.2016.05.010
Homo sapiens CEM-SS EC25 0.03 uM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS EC25 5.0 uM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS EC50 20.0 nM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS EC50 50.0 nM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS EC50 190.0 nM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS EC50 33000.0 nM 10.1021/jm991125l
Homo sapiens CEM-SS IC25 10.0 uM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS IC50 5000.0 nM 10.1016/s0960-894x(98)00380-1
Homo sapiens CEM-SS IC50 61000.0 nM 10.1021/np5006696
Homo sapiens CEM-TK(-) CC50 7000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens CEM-TK(-) CC50 8300.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens Cholecystokinin A receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens C-X-C chemokine receptor type 4 EC50 88.0 nM 10.1016/s0960-894x(01)00323-7
Homo sapiens C-X-C chemokine receptor type 4 IC50 nan nM 10.1016/s0960-894x(01)00323-7
Homo sapiens C-X-C chemokine receptor type 4 IC50 nan nM 10.1016/s0960-894x(02)00041-0
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Deoxycytidine kinase Ki 360000.0 nM 10.1021/jm00163a043
Homo sapiens Deoxycytidine kinase Ki 1000000.0 nM 10.1021/jm00163a043
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 5.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 20.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 10000.0 nM None
Homo sapiens DNA polymerase beta Inhibition nan % 10.1021/acs.jnatprod.5b00621
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Galactocerebrosidase Potency 707.9 nM None
Homo sapiens Geminin Potency 103.2 nM 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 H9 IC50 500000.0 nM 10.1016/0960-894X(96)00096-0
Homo sapiens HEL MCC 250000.0 nM 10.1016/j.bmc.2018.05.034
Homo sapiens HEL MCC 250000.0 nM 10.1016/j.bmcl.2018.09.019
Homo sapiens HEL MCC 250000.0 nM 10.1016/j.ejmech.2016.10.002
Homo sapiens HeLa IC50 38000.0 nM 10.1016/0960-894X(95)00472-6
Homo sapiens Hepatoma cell line ED50 0.01 uM 10.1021/jm00032a013
Homo sapiens Hepatoma cell line ED50 2.8 uM 10.1021/jm00032a013
Homo sapiens Hepatoma cell line ED50 5.0 uM 10.1021/jm00032a013
Homo sapiens HepG2 Activity 0.3 % 10.1128/aac.00392-09
Homo sapiens HepG2 Activity 3.0 % 10.1128/aac.00794-10
Homo sapiens HepG2 Activity 9.5 % 10.1021/acs.jmedchem.7b00067
Homo sapiens HepG2 Activity 30.0 % 10.1128/aac.00794-10
Homo sapiens HepG2 Activity 170.0 % 10.1128/aac.00392-09
Homo sapiens HepG2 Activity 170.0 % 10.1128/aac.00794-10
Homo sapiens HepG2 Activity 200.0 % 10.1021/acs.jmedchem.8b01300
Homo sapiens HepG2 Activity 220.0 % 10.1021/jm501874e
Homo sapiens HepG2 Activity 330.0 % 10.1021/acs.jmedchem.7b00067
Homo sapiens HepG2 Activity nan None 10.1007/s00044-011-9616-2
Homo sapiens HepG2 Activity nan None 10.1021/jm501874e
Homo sapiens HepG2 Activity nan None 10.1128/aac.00794-10
Homo sapiens HepG2 CC50 10000.0 nM 10.1021/jm501874e
Homo sapiens HepG2 EC50 1400.0 nM 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 EC50 1500.0 nM 10.1016/S0960-894X(97)00001-2
Homo sapiens HepG2 EC50 3200.0 nM 10.1016/S0960-894X(97)00001-2
Homo sapiens HepG2 EC50 nan nM 10.1021/jm0309708
Homo sapiens HepG2 EC90 6.9 uM 10.1016/S0960-894X(97)00001-2
Homo sapiens HepG2 EC90 8.4 uM 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 EC90 10.0 uM 10.1016/S0960-894X(97)00001-2
Homo sapiens HepG2 IC50 2.1 ug.mL-1 10.1021/jm00020a009
Homo sapiens HepG2 IC50 1400.0 nM 10.1021/jm9705723
Homo sapiens HepG2 IC50 10000.0 nM 10.1021/acs.jmedchem.7b00067
Homo sapiens HepG2 IC50 10000.0 nM 10.1021/acs.jmedchem.8b01300
Homo sapiens HepG2 IC50 37000.0 nM 10.1016/s0960-894x(00)00418-2
Homo sapiens HepG2 IC50 100000.0 nM 10.1016/0960-894X(95)00472-6
Homo sapiens HepG2 IC50 252000.0 nM 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Inhibition 50.0 % 10.1021/acs.jmedchem.8b01300
Homo sapiens HepG2 Inhibition 53.0 % 10.1021/acs.jmedchem.7b00067
Homo sapiens HepG2 Inhibition 61.39 % 10.1128/aac.00392-09
Homo sapiens HepG2 Inhibition 84.0 % 10.1021/acs.jmedchem.8b01300
Homo sapiens HepG2 Inhibition 96.0 % 10.1021/acs.jmedchem.7b00067
Homo sapiens HepG2 Inhibition 99.88 % 10.1128/aac.00392-09
Homo sapiens HepG2 Relative level 1.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 6.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 87.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 88.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 90.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 91.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 Relative level 94.0 None 10.1016/S0960-894X(97)00422-8
Homo sapiens HepG2 TC50 64.0 ug ml-1 10.1021/jm00020a009
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -12.48 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.78 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 IC50 100000.0 nM 10.1021/jm00170a016
Homo sapiens Homo sapiens CL 1.1 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 5.6 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 4.5 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.88 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.93 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.95 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.54 L.kg-1 10.1021/jm901371v
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MAP kinase ERK2 Potency 25118.9 nM None
Homo sapiens Melanocortin receptor 3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 125.9 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MT2 CC50 4000.0 nM 10.1021/ml4002979
Homo sapiens MT2 EC50 0.29 ug.mL-1 10.1021/jm00163a004
Homo sapiens MT2 EC50 331.0 nM 10.1021/jm950797i
Homo sapiens MT2 EC50 900.0 nM 10.1021/jm950797i
Homo sapiens MT2 EC50 994.0 nM 10.1021/jm950797i
Homo sapiens MT2 EC50 1562.0 nM 10.1021/jm950797i
Homo sapiens MT2 ED50 1.5 uM 10.1021/jm00032a013
Homo sapiens MT2 ED50 5.0 uM 10.1021/jm00032a013
Homo sapiens MT2 ED50 100.0 uM 10.1021/jm00032a013
Homo sapiens MT2 IC50 0.44 ug.mL-1 10.1021/jm00081a015
Homo sapiens MT2 IC50 44.0 ug.mL-1 10.1021/jm00163a004
Homo sapiens MT2 IC50 83800.0 nM 10.1021/jm950797i
Homo sapiens MT2 IC50 134930.0 nM 10.1021/jm950797i
Homo sapiens MT2 IC50 212100.0 nM 10.1021/jm950797i
Homo sapiens MT2 IC50 258970.0 nM 10.1021/jm950797i
Homo sapiens MT2 IC50 nan nM 10.1016/s0960-894x(00)00418-2
Homo sapiens MT2 ID50 70.0 uM 10.1021/jm034265a
Homo sapiens MT2 TAI 52.0 None 10.1021/jm00081a015
Homo sapiens MT2 TC25 9.8 ug ml-1 10.1021/jm00081a015
Homo sapiens MT4 CC50 10.66 ug.mL-1 10.1016/j.bmc.2011.05.026
Homo sapiens MT4 CC50 11.0 ug.mL-1 10.1021/np020234r
Homo sapiens MT4 CC50 20.0 ug.mL-1 10.1007/s00044-013-0567-7
Homo sapiens MT4 CC50 14000.0 nM 10.1016/s0960-894x(01)00323-7
Homo sapiens MT4 CC50 30000.0 nM 10.1021/jm00093a003
Homo sapiens MT4 CC50 40000.0 nM 10.1021/jm00105a055
Homo sapiens MT4 CC50 40000.0 nM 10.1021/jm00132a002
Homo sapiens MT4 CC50 48000.0 nM 10.1016/s0960-894x(02)00041-0
Homo sapiens MT4 CC50 75200.0 nM 10.1016/j.ejmech.2013.01.015
Homo sapiens MT4 CC50 94000.0 nM 10.1016/j.ejmech.2011.08.011
Homo sapiens MT4 CC50 94690.0 nM 10.1016/j.bmc.2011.07.023
Homo sapiens MT4 CC50 94690.0 nM 10.1016/j.bmc.2012.04.030
Homo sapiens MT4 CC50 94690.0 nM 10.1039/C3MD00028A
Homo sapiens MT4 CC50 94700.0 nM 10.1016/j.bmc.2013.08.040
Homo sapiens MT4 CC50 94700.0 nM 10.1016/j.bmc.2016.05.010
Homo sapiens MT4 CC50 94700.0 nM 10.1016/j.ejmech.2012.02.019
Homo sapiens MT4 CC50 94700.0 nM 10.1039/C3MD00247K
Homo sapiens MT4 CC50 95000.0 nM 10.1016/j.bmc.2012.07.026
Homo sapiens MT4 CC50 95000.0 nM 10.1016/j.bmc.2012.09.058
Homo sapiens MT4 CC50 95000.0 nM 10.1016/j.bmc.2013.09.009
Homo sapiens MT4 CC50 95000.0 nM 10.1016/j.bmcl.2012.09.062
Homo sapiens MT4 CC50 100000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens MT4 CC50 100000.0 nM 10.1021/jm991125l
Homo sapiens MT4 CC50 130000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens MT4 CC50 141000.0 nM 10.1021/jm0309708
Homo sapiens MT4 CC50 180000.0 nM 10.1016/j.ejmech.2021.113315
Homo sapiens MT4 CC50 324800.0 nM 10.1016/j.bmcl.2013.12.093
Homo sapiens MT4 CD50 40.0 uM 10.1021/jm00168a046
Homo sapiens MT4 EC50 236.0 nM 10.1021/jm00170a016
Homo sapiens MT4 EC50 240.0 nM 10.1021/jm00170a016
Homo sapiens MT4 EC50 300.0 nM 10.1021/jm00132a002
Homo sapiens MT4 EC50 1040.0 nM 10.1021/jm0309708
Homo sapiens MT4 EC50 2400.0 nM 10.1021/jm991125l
Homo sapiens MT4 EC50 33000.0 nM 10.1016/s0960-894x(02)00041-0
Homo sapiens MT4 ED50 0.011 ug ml-1 10.1021/jm00088a026
Homo sapiens MT4 IC50 1000.0 nM 10.1021/jm00057a002
Homo sapiens MT4 IC50 1600.0 nM 10.1016/s0960-894x(04)00205-7
Homo sapiens MT4 IC50 313000.0 nM 10.1021/jm00170a016
Homo sapiens MT4 ID50 27.0 ug ml-1 10.1021/jm00088a026
Homo sapiens MT4 Protection 10.0 % 10.1021/jm00391a003
Homo sapiens MT4 Protection 40.0 % 10.1021/jm00391a003
Homo sapiens MT4 Protection 90.0 % 10.1021/jm00391a003
Homo sapiens MT4 Selectivity index 120.0 None 10.1021/jm00168a046
Homo sapiens MT4 Selectivity index 133.0 None 10.1021/jm00105a055
Homo sapiens MT4 SI 135.0 None 10.1021/jm0309708
Homo sapiens MT4 Toxicity 10.0 % 10.1021/jm00391a003
Homo sapiens MT4 Toxicity 90.0 % 10.1021/jm00391a003
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 794.3 nM None
Homo sapiens PBMC CC50 nan nM 10.1021/jm0309708
Homo sapiens PBMC EC50 nan nM 10.1021/jm0309708
Homo sapiens Phosphodiesterase 3A 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 Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 100.0 nM None
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serum albumin Kd 44000.0 nM 10.1016/j.bmcl.2015.05.099
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1038/nrd3028
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid hormone receptor beta-1 Potency 22387.2 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7499.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8199.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 9200.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 10593.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 13335.9 nM None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Human adenovirus 2 Human adenovirus 2 EC50 7200.0 nM 10.1016/j.ejmech.2016.10.002
Human adenovirus 2 Human adenovirus 2 EC50 10000.0 nM 10.1016/j.bmc.2018.05.034
Human adenovirus 2 Human adenovirus 2 EC50 10000.0 nM 10.1016/j.ejmech.2019.111739
Human adenovirus 2 Human adenovirus 2 EC50 50000.0 nM 10.1016/j.bmcl.2018.09.019
Human adenovirus 2 Human adenovirus 2 IC50 3300.0 nM 10.1016/j.bmc.2008.11.075
Human alphaherpesvirus 1 Human alphaherpesvirus 1 EC50 nan nM 10.1016/s0960-894x(00)00418-2
Human alphaherpesvirus 1 Human alphaherpesvirus 1 EC50 nan nM 10.1021/jm034265a
Human alphaherpesvirus 2 Human alphaherpesvirus 2 EC50 nan nM 10.1016/s0960-894x(00)00418-2
Human gammaherpesvirus 4 Human gammaherpesvirus 4 EC50 nan nM 10.1021/jm034265a
Human immunodeficiency virus Human immunodeficiency virus EC50 300.0 nM 10.1021/jm00105a055
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 0.1 ug.mL-1 10.1021/np020234r
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1.0 nM 10.1021/np0003995
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 9.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 10.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 15.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 16.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 30.0 nM 10.1016/0960-894X(96)00096-0
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 67.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 79.0 nM 10.1021/np5006696
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 83.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 190.0 nM 10.1021/jm9607921
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 400.0 nM 10.1016/j.ejmech.2013.01.015
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 460.0 nM 10.1016/j.bmc.2013.08.040
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 570.0 nM 10.1039/C3MD00247K
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 750.0 nM 10.1016/j.ejmech.2011.08.011
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 910.0 nM 10.1021/jm00093a003
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1000.0 nM 10.1016/j.bmc.2012.09.058
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1000.0 nM 10.1016/j.bmcl.2012.09.062
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1040.0 nM 10.1039/C3MD00028A
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1041.6 nM 10.1016/j.ejmech.2012.02.019
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1200.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1370.0 nM 10.1016/j.bmc.2016.05.010
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1390.0 nM 10.1016/j.bmc.2012.07.026
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1394.28 nM 10.1016/j.bmc.2012.04.030
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1400.0 nM 10.1016/j.bmc.2013.09.009
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 1468.0 nM 10.1016/j.bmc.2011.07.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 2000.0 nM 10.1016/j.ejmech.2021.113315
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan nM 10.1016/s0960-894x(00)00418-2
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1016/j.bmc.2013.08.040
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1016/j.bmc.2016.05.010
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1039/C3MD00247K
Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 0.3 uM 10.1021/jm00168a046
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 0.043 ug.mL-1 10.1016/j.bmc.2011.05.026
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 0.16 ug.mL-1 10.1007/s00044-013-0567-7
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 130.0 nM 10.1128/aac.00392-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 200.0 nM 10.1128/aac.00392-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 1000.0 nM 10.1016/j.bmcl.2013.12.093
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 1400.0 nM 10.1128/aac.00392-09
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Activity nan None 10.1021/jm00042a005
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase CC50 34000.0 nM 10.1021/jm991125l
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase EC50 31.0 nM 10.1021/jm991125l
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 nan None 10.1021/np5006696
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Ki 51.0 nM 10.1021/jm040101y
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 0.1 ug.mL-1 10.1021/np020234r
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 400.0 nM 10.1016/j.ejmech.2013.01.015
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 690.0 nM 10.1021/jm00093a003
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 880.0 nM 10.1016/j.ejmech.2011.08.011
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1280.0 nM 10.1039/C3MD00028A
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1300.0 nM 10.1016/j.bmc.2012.09.058
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1300.0 nM 10.1016/j.bmcl.2012.09.062
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1560.0 nM 10.1016/j.bmc.2011.07.023
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1610.0 nM 10.1039/C3MD00247K
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1670.0 nM 10.1016/j.bmc.2012.04.030
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1700.0 nM 10.1016/j.bmc.2012.07.026
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 1700.0 nM 10.1016/j.bmc.2013.08.040
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 nan None 10.1016/j.bmc.2014.01.054
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 0.04 ug.mL-1 10.1016/j.bmc.2011.05.026
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 0.19 ug.mL-1 10.1007/s00044-013-0567-7
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 500.0 nM 10.1016/j.bmcl.2013.12.093
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 1900.0 nM 10.1016/j.bmcl.2013.12.093
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 8.0 % 10.6019/CHEMBL4513141
Moloney murine leukemia virus Moloney murine leukemia virus ED50 4.0 uM 10.1021/jm00385a033
Murine leukemia virus Murine leukemia virus MIC50 0.74 ug.mL-1 10.1021/jm00093a023
Murine leukemia virus Murine leukemia virus TD50 100.0 ug ml-1 10.1021/jm00093a023
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 EC50 13800.0 nM 10.1021/jm00105a064
Mus musculus Mus musculus EC50 23000.0 nM 10.1021/jm00105a064
Mus musculus Mus musculus IC50 100000.0 nM 10.1021/jm00105a064
Mycobacterium avium Mycobacterium avium Inhibition 0.0 % 10.1021/jm070391t
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 0.0 % 10.1021/jm070391t
Oryctolagus cuniculus Oryctolagus cuniculus EC50 nan nM 10.1021/jm034265a
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 1.57 % 10.6019/CHEMBL4513141
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus H9c2 Activity nan None 10.1128/aac.00039-07
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 291.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 300.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 323.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 366.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 380.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 63.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 78.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 78.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 95.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 101.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 0.833 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 153.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 183.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 746.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 783.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 790.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 320.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 442.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 509.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 672.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 865.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 891.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 22330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 22670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24170000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Concentration 109.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus Concentration 126.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus Concentration 176.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus Concentration 408.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus Concentration 749.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus Concentration 3099.0 nM min ml-1 10.1021/jm00057a002
Rattus norvegicus Rattus norvegicus CREAT 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1290.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1380.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1396.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1408.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1413.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1470.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 43.12 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 43.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 44.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 45.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 142700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 143300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 146300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 147300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 150000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 210.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 216.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 255.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 289.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 673.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 744.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 70.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 72.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 75.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 81.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 19.83 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.0 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.25 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.35 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.4 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 329500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 333700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 334000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 335700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 337300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 339500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 16.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 21.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 24.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 25.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 91.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 93.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 94.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 95.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 95.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 957670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1028500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1049330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1093170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1184000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1274000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.55 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.65 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.95 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62300.0 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 PROT 64000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7020000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7160000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7200000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7410000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7450000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 139.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9050.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9630.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9770.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11230.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Solute carrier family 22 member 6 Activity nan None None
Rattus norvegicus Solute carrier family 22 member 7 Km 3000000.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 946.6 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1412.5 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1778.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 37685.8 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.14 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 25.63 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1927 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
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.0 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.17 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.1721 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 4.24 % 10.6019/CHEMBL4513141
None ADMET Activity 1.0 % 10.1128/aac.00039-07
None ADMET Activity 11.0 % 10.1128/aac.00039-07
None ADMET Activity 15.0 % 10.1128/aac.00039-07
None ADMET Activity 50.0 % 10.1128/aac.00914-09
None ADMET Activity nan None 10.1128/aac.00039-07
None ADMET Activity nan None 10.1128/aac.00914-09
None ADMET CC50 10000.0 nM 10.1021/jm991125l
None ADMET CC50 178800.0 nM 10.1016/j.bmcl.2013.12.093
None ADMET CC50 233000.0 nM 10.1016/S0960-894X(97)00001-2
None ADMET CC50 nan nM 10.1016/s0960-894x(01)00323-7
None ADMET CL 5.6 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD 0.0 None 10.1021/jm0000564
None ADMET EC50 16.0 nM 10.1021/jm991125l
None ADMET EC50 70.0 nM 10.1021/jm991125l
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET F 80.0 % 10.1021/acs.jmedchem.1c00790
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET ID50 1990.0 uM 10.1021/np50082a020
None ADMET log10(%HIA +10) 1.978 None 10.1016/j.ejmech.2010.11.005
None ADMET MRT 1.6 hr 10.1124/dmd.108.020479
None ADMET Ratio 175.0 None 10.1021/jm00391a003
None ADMET Ratio CC50/EC50 74.0 None 10.1039/C3MD00028A
None ADMET Ratio CC50/EC50 83.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 90.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 93.0 None 10.1039/C3MD00028A
None ADMET Ratio CC50/EC50 239.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 467.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 922.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 2875.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 4600.0 None 10.1016/j.ejmech.2021.113315
None ADMET Ratio CC50/EC50 15660.0 None 10.1016/j.ejmech.2021.113315
None ADMET Solubility 78000.0 ug.mL-1 10.1021/jm00089a008
None ADMET T1/2 1.2 hr 10.1124/dmd.108.020479
None ADMET T1/2 22.7 None 10.1021/jm00057a002
None ADMET Therapeutic index 16667.0 None 10.1016/0960-894X(96)00096-0
None ADMET TI 26.0 None 10.1016/s0960-894x(98)00380-1
None ADMET TI 93.0 None 10.1021/jm950797i
None ADMET TI 100.0 None 10.1016/s0960-894x(98)00380-1
None ADMET TI 135.14 TD50/MIC50 10.1021/jm00093a023
None ADMET TI 152.0 None 10.1021/jm00163a004
None ADMET TI 166.0 None 10.1021/jm950797i
None ADMET TI 200.0 None 10.1021/np0003995
None ADMET TI 213.0 None 10.1021/jm950797i
None ADMET TI 250.0 None 10.1016/s0960-894x(98)00380-1
None ADMET TI 250.0 None 10.1021/jm950797i
None ADMET TI 333.0 None 10.1016/s0960-894x(98)00380-1
None ADMET TI 380.0 None 10.1021/jm00090a008
None ADMET TI 408.0 None 10.1021/jm950797i
None ADMET TI 2450.0 None 10.1021/jm00088a026
None ADMET Vdss 0.54 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 2.9 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 1.0 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 1.4 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 1.0 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 5.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 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 1.4 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity LTKB_BD DILI severity score 8.0 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 5.7 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 2.9 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET CC50 20.0 ug.mL-1 10.1016/j.ejmech.2016.05.017
None NON-PROTEIN TARGET CC50 219000.0 nM 10.1021/jm00047a013
None NON-PROTEIN TARGET EC50 0.16 ug.mL-1 10.1016/j.ejmech.2016.05.017
None NON-PROTEIN TARGET EC50 0.19 ug.mL-1 10.1016/j.ejmech.2016.05.017
None NON-PROTEIN TARGET EC50 7200.0 nM 10.1016/j.bmcl.2016.09.071
None NON-PROTEIN TARGET ED50 2.2 uM 10.1021/jm00089a008
None NON-PROTEIN TARGET Hepatotoxicity (acute) 8.5 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 5.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 14.9 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 1000000.0 nM 10.1021/jm00089a008
None NON-PROTEIN TARGET MCC 250000.0 nM 10.1016/j.bmcl.2016.09.071
None NON-PROTEIN TARGET Ratio CC50/EC50 69.0 None 10.1016/j.bmc.2016.05.010
None NON-PROTEIN TARGET Ratio CC50/EC50 nan None 10.1016/j.bmc.2016.05.010
None No relevant target LogD -1.33 None 10.1021/jm0000564
None No relevant target LogD 3.2 None 10.1021/jm0000564
None No relevant target LogP -1.33 None 10.1021/jm00090a008
None No relevant target LogP -1.33 None 10.1021/jm00109a018
None No relevant target LogP -0.58 None 10.1021/jm0309708
None No relevant target LogP 0.073 None 10.1021/jm00089a008
None No relevant target P 0.17 None 10.1021/jm00163a043
None No relevant target pKa 4.42 None 10.1021/jm00089a008
None No relevant target pKa nan None 10.1021/jm0000564
None Unchecked Ac50 2.239 uM None
None Unchecked Ac50 3.162 uM None
None Unchecked Ac50 3.548 uM None
None Unchecked AC50 2238.7 nM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 3548.1 nM None
None Unchecked EC50 800.0 nM 10.1021/jm034265a
None Unchecked EC50 1300.0 nM 10.1021/jm00047a013
None Unchecked EC50 2100.0 nM 10.1021/jm00047a013
None Unchecked EC50 nan nM 10.1021/jm034265a
None Unchecked EC90 8.1 uM 10.1021/jm00047a013
None Unchecked EC90 12.0 uM 10.1021/jm00047a013
None Unchecked Hepatotoxicity (acute) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 3.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 nan None 10.1016/j.bmc.2016.05.010
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Inhibition nan % 10.1128/aac.00914-09
None Unchecked MCC 250000.0 nM 10.1016/j.ejmech.2019.111739
None Unchecked Potency 130.0 nM None
None Unchecked Protective effect 18.0 % 10.1021/jm00388a020
None Unchecked Protective effect 77.0 % 10.1021/jm00388a020
None Unchecked Protective effect 97.0 % 10.1021/jm00388a020
None Unchecked Protective effect 100.0 % 10.1021/jm00388a020
None Unchecked Ratio 30.0 None 10.1016/S0960-894X(97)00422-8
None Unchecked Ratio 133.0 None 10.1021/np50082a020
None Unchecked Ratio CC50/EC50 65.0 None 10.1016/j.bmc.2011.07.023
None Unchecked Ratio CC50/EC50 68.0 None 10.1016/j.bmc.2012.04.030
None Unchecked Ratio CC50/EC50 68.0 None 10.1016/j.bmc.2012.07.026
None Unchecked Ratio CC50/EC50 68.0 None 10.1016/j.bmc.2013.09.009
None Unchecked Ratio CC50/EC50 68.0 None 10.1016/j.bmcl.2012.09.062
None Unchecked Ratio CC50/EC50 74.0 None 10.1016/j.bmc.2012.09.058
None Unchecked Ratio CC50/EC50 74.0 None 10.1016/j.bmcl.2012.09.062
None Unchecked Ratio CC50/EC50 93.0 None 10.1016/j.bmc.2012.09.058
None Unchecked Ratio CC50/EC50 93.0 None 10.1016/j.ejmech.2012.02.019
None Unchecked Ratio CC50/EC50 108.0 None 10.1016/j.ejmech.2011.08.011
None Unchecked Ratio CC50/EC50 108.0 None 10.1016/j.ejmech.2016.05.017
None Unchecked Ratio CC50/EC50 127.0 None 10.1016/j.ejmech.2011.08.011
None Unchecked Ratio CC50/EC50 127.0 None 10.1016/j.ejmech.2016.05.017
None Unchecked Ratio CC50/EC50 169.0 None 10.1039/C3MD00247K
None Unchecked Ratio CC50/EC50 208.0 None 10.1016/j.bmc.2013.08.040
None Unchecked Ratio CC50/EC50 nan None 10.1016/j.bmc.2014.01.054
None Unchecked Ratio CC50/IC50 108.0 None 10.1007/s00044-013-0567-7
None Unchecked Ratio CC50/IC50 127.0 None 10.1007/s00044-013-0567-7
None Unchecked Ratio CC50/IC50 248.73 None 10.1016/j.bmc.2011.05.026
None Unchecked Ratio CC50/IC50 266.7 None 10.1016/j.bmc.2011.05.026
None Unchecked Selectivity index 8.0 SI 10.1021/jm00170a015
None Unchecked Selectivity index 18.0 None 10.1021/jm00047a013
None Unchecked Selectivity index 25.0 None 10.1021/jm00081a015
None Unchecked Selectivity index 27.0 None 10.1021/jm00047a013
None Unchecked Selectivity index 120.0 None 10.1021/jm00081a015
None Unchecked Selectivity ratio 417.0 None 10.1021/jm00170a016
None Unchecked Selectivity ratio 424.0 None 10.1021/jm00170a016
None Unchecked Selectivity ratio 1304.0 None 10.1021/jm00170a016
None Unchecked Selectivity ratio 1326.0 None 10.1021/jm00170a016
None Unchecked SI 0.16 None 10.1016/s0960-894x(01)00323-7
None Unchecked SI 4.4 None 10.1021/jm00105a064
None Unchecked SI 7.3 None 10.1021/jm00105a064
None Unchecked SI 23.0 None 10.1016/S0960-894X(97)00001-2
None Unchecked SI 34.0 None 10.1016/S0960-894X(97)00001-2
None Unchecked SI 133.0 None 10.1021/jm00132a002
None Unchecked SI 1500.0 None 10.1016/s0960-894x(02)00041-0
None Unchecked SI nan None 10.1016/s0960-894x(01)00323-7
None Unchecked SI nan None 10.1021/jm0309708

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT021021 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1>>N=c1ccn([C@@H]2CC[C@H](COP(=O)(O)O)O2)c(O)n1 MNXR129538
AKRT021022 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1>>Nc1ccn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)n1 enzymemap_43474