Navigation

name Structure Reference Source Properties Activities Metabolism

Irinotecan hydrochloride

AlkaPlorer ID: AK000035

Synonym: 'Camptothecin 11', 'Irinotecan', 'Campto', 'CPT 11', "1,4'-Bipiperidine-1'-carboxylic acid, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano3',4':6,7 indolizino1,2-bquinolin-9-yl ester, monohydrochloride (S)-", 'Camptosar'

IUPAC Name: [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

Structure

SMILES: CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(N4CCCCC4)CC3)C=C12

copy

InChI: InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1

copy

InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N

copy

Reference

PubChem CID: 60838

CAS: 100286-90-6

NPASS: NPC197381

Properties Information

Molecule Weight: 586.6890000000001

TPSA？: 114.2

MolLogP？: 4.091100000000004

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 7

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
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
Drosophila melanogaster Drosophila melanogaster GI nan None 10.1016/j.bmc.2011.09.059
Homo sapiens 786-0 IC50 2250.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens A2780 IC50 3800.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens A-375 IC50 4.0 nM 10.1021/jm101354u
Homo sapiens A-431 IC50 4100.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens A549 GI50 5000.0 nM 10.1021/jm300605m
Homo sapiens A549 GI50 10000.0 nM 10.1016/j.bmc.2009.09.021
Homo sapiens A549 GI50 10000.0 nM 10.1016/j.bmc.2011.10.014
Homo sapiens A549 IC50 32.0 nM 10.1016/j.ejmech.2019.01.017
Homo sapiens A549 IC50 800.0 nM 10.1021/acs.jnatprod.5b00877
Homo sapiens A549 IC50 1557.0 nM 10.1021/acs.jmedchem.0c00305
Homo sapiens A549 IC50 1880.93 nM 10.1016/j.bmc.2018.08.008
Homo sapiens A549 IC50 2000.0 nM 10.1016/j.ejmech.2022.114660
Homo sapiens A549 IC50 4610.0 nM 10.1016/j.bmc.2010.03.039
Homo sapiens A549 IC50 5237.6 nM 10.1016/j.ejmech.2019.111971
Homo sapiens A549 IC50 6400.0 nM 10.1021/jm100387d
Homo sapiens A549 IC50 6528.0 nM 10.1016/j.bmc.2007.10.046
Homo sapiens A549 IC50 8300.0 nM 10.1016/j.bmcl.2017.02.066
Homo sapiens A549 IC50 8300.0 nM 10.1016/j.bmcl.2017.09.012
Homo sapiens A549 IC50 8310.0 nM 10.1016/j.bmcl.2017.07.078
Homo sapiens A549 IC50 9140.0 nM 10.1016/j.ejmech.2021.113639
Homo sapiens A549 IC50 9480.0 nM 10.1016/j.bmcl.2012.10.002
Homo sapiens A549 IC50 9480.0 nM 10.1016/j.ejmech.2016.02.070
Homo sapiens A549 IC50 9500.0 nM 10.1021/jm5003588
Homo sapiens A549 IC50 16530.0 nM 10.1016/j.ejmech.2020.112067
Homo sapiens A549 IC50 19710.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens A549 IC50 20000.0 nM 10.1016/j.bmcl.2017.03.039
Homo sapiens A549 IC50 20100.0 nM 10.1021/acs.jmedchem.5b00910
Homo sapiens A549 IC50 26690.0 nM 10.1016/j.bmcl.2021.128146
Homo sapiens A549 Inhibition 91.8 % 10.1021/acs.jnatprod.6b00783
Homo sapiens A549 Inhibition nan % 10.1021/acs.jmedchem.0c00305
Homo sapiens A549 T/C 0.4 None 10.1021/acsmedchemlett.2c00442
Homo sapiens A549 TGI 50.0 % 10.1021/jm301788a
Homo sapiens A549 TGI 51.0 % 10.1016/j.bmc.2010.03.039
Homo sapiens Acetylcholinesterase IC50 1827.0 nM None
Homo sapiens Acetylcholinesterase Ki 50.5 nM 10.1021/jm701253t
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase Activity 0.129 nM/mg*min 10.1016/s0960-894x(98)00039-0
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase Km 1453000.0 nM 10.1016/j.bmc.2009.10.052
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase pKm 2.84 None 10.1016/j.bmc.2009.10.052
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
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 IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
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 IC50 3171.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 461.0 nM None
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 ATP-binding cassette sub-family G member 2 Activity nan None 10.1038/nrd3028
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.63.1.65
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None None
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 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 BGC-823 T/C 5.48 % 10.1016/j.ejmech.2016.11.013
Homo sapiens BGC-823 TGI 94.1 % 10.1016/j.ejmech.2016.11.013
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens BT-483 Activity nan None 10.1016/j.ejmech.2013.01.011
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 IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens CAPAN-1 Activity nan None 10.1021/acs.jmedchem.0c00305
Homo sapiens CAPAN-1 IC50 1121.0 nM 10.1021/acs.jmedchem.0c00305
Homo sapiens CAPAN-1 IC50 1500.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens CAPAN-1 T/C 7.92 % 10.1021/acs.jmedchem.0c00305
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 CCD-18Co IC50 18500.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens CCD-841CoN IC50 13200.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens CCD-841CoN IC50 90250.0 nM 10.1016/j.bmcl.2021.128146
Homo sapiens CCRF-CEM IC50 nan None 10.1016/j.ejmech.2014.02.018
Homo sapiens CCRF-CEM Ratio IC50 nan None 10.1016/j.ejmech.2014.02.018
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens COLO 205 Activity 162.0 % 10.1021/acsmedchemlett.9b00568
Homo sapiens COLO 205 TGI 75.0 % 10.1021/acsmedchemlett.9b00568
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
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 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 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
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 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki 24000.0 nM 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Kinact 0.06 min-1 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Log 1/Km -1.265 None 10.1016/j.bmcl.2005.06.015
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DG-75 Activity 0.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens DG-75 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens DNA topoisomerase I CC50 100000.0 nM 10.1021/jm00105a017
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.bmcl.2014.01.039
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2020.112067
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2020.112509
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1021/jm301788a
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1021/jm5003588
Homo sapiens DNA topoisomerase I REC 25.0 None 10.1021/jm020498a
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
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 IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens DU-145 IC50 200.0 nM 10.1021/jm101354u
Homo sapiens DU-145 IC50 2800.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens DU-145 IC50 9300.0 nM 10.1016/j.bmcl.2012.10.002
Homo sapiens DU-145 IC50 9300.0 nM 10.1021/jm5003588
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 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 Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens H69AR IC50 250.0 nM 10.1021/jm101354u
Homo sapiens HCT-116 Activity 0.256 % 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 Activity 1.51 % 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 Activity 6.15 % 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 Activity 35.4 % 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 Activity 92.5 % 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 Activity nan None 10.1021/jm201702g
Homo sapiens HCT-116 GI 85.0 % 10.1016/j.bmc.2011.08.068
Homo sapiens HCT-116 GI50 7100.0 nM 10.1021/jm300605m
Homo sapiens HCT-116 IC50 4.4 nM 10.1016/j.bmc.2020.115849
Homo sapiens HCT-116 IC50 498.0 nM 10.1021/acs.jmedchem.0c00305
Homo sapiens HCT-116 IC50 600.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens HCT-116 IC50 1633.47 nM 10.1016/j.bmc.2018.08.008
Homo sapiens HCT-116 IC50 6300.0 nM 10.1016/j.bmcl.2017.03.039
Homo sapiens HCT-116 IC50 9700.0 nM 10.1016/j.ejmech.2020.112599
Homo sapiens HCT-116 IC50 12030.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens HCT-116 IC50 14220.0 nM 10.1016/j.bmcl.2023.129128
Homo sapiens HCT-116 IC50 18600.0 nM 10.1021/acs.jmedchem.5b00910
Homo sapiens HCT-116 IC50 100000.0 nM 10.1016/j.ejmech.2020.112509
Homo sapiens HCT-116 ID50 540.0 nM 10.1016/s0960-894x(02)00153-1
Homo sapiens HCT-116 Inhibition nan % 10.1021/acs.jmedchem.0c00305
Homo sapiens HCT-116/VM46 ID50 220.0 nM 10.1016/s0960-894x(02)00153-1
Homo sapiens HCT-15 IC50 2700.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens HEK293 IC50 100000.0 nM 10.1016/j.ejmech.2020.112509
Homo sapiens HEK-293T IC50 19830.0 nM 10.1016/j.bmcl.2023.129128
Homo sapiens HeLa GI50 1000.0 nM 10.1016/j.bmc.2007.03.067
Homo sapiens HeLa IC50 32.0 nM 10.1016/j.ejmech.2019.01.017
Homo sapiens HeLa IC50 5800.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens HepG2 Activity 0.47 g 10.1016/j.ejmech.2018.07.028
Homo sapiens HepG2 GI50 5940.0 nM 10.1016/j.bmc.2009.09.021
Homo sapiens HepG2 GI50 5940.0 nM 10.1016/j.bmc.2011.10.014
Homo sapiens HepG2 IC50 900.0 nM 10.1021/acs.jnatprod.5b00877
Homo sapiens HepG2 IC50 4000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens HepG2 IC50 34070.0 nM 10.1016/j.ejmech.2022.114660
Homo sapiens HepG2 IC50 100000.0 nM 10.1016/j.ejmech.2020.112509
Homo sapiens HepG2 IC50 nan None 10.1016/j.bmc.2021.116360
Homo sapiens HepG2 IC50 relative 10100.0 nM 10.6019/EOS300108
Homo sapiens HepG2 Inhibition 98.9 % 10.1021/acs.jnatprod.6b00783
Homo sapiens HepG2 Potency 7079.5 nM None
Homo sapiens HepG2 T/C 35.08 % 10.1016/j.ejmech.2018.07.028
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histone deacetylase 6 Inhibition -5.68 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.26 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 IC50 32.0 nM 10.1016/j.ejmech.2019.01.017
Homo sapiens HL-60 IC50 4240.0 nM 10.1016/j.bmcl.2021.128146
Homo sapiens HL-60 IC50 nan None 10.1016/j.bmcl.2021.128066
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 7.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 2.24 mL.min-1.kg-1 10.1021/jm900403j
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 k_elim 0.101 hr-1 10.1124/dmd.110.035451
Homo sapiens Homo sapiens k_elim 0.12 hr-1 10.1124/dmd.110.035451
Homo sapiens Homo sapiens MRT 9.1 hr 10.1016/j.bmcl.2016.12.085
Homo sapiens Homo sapiens T1/2 5.2 hr 10.1016/j.bmcl.2016.12.085
Homo sapiens HT-29 Activity 18.3 % 10.1021/jm301217c
Homo sapiens HT-29 Activity 123.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Activity 152.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Activity 223.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Activity 250.0 % 10.1016/j.bmcl.2007.12.046
Homo sapiens HT-29 Activity 266.0 % 10.1016/j.bmcl.2007.12.046
Homo sapiens HT-29 Activity 298.0 % 10.1016/j.bmcl.2007.12.046
Homo sapiens HT-29 Activity 316.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Activity 387.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Activity 538.0 mm3 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 Efficacy 71.0 % 10.1021/acs.jnatprod.5b00072
Homo sapiens HT-29 GI 22.85 % 10.1016/j.ejmech.2018.10.037
Homo sapiens HT-29 GI 37.35 % 10.1016/j.ejmech.2018.10.037
Homo sapiens HT-29 GI 54.71 % 10.1016/j.ejmech.2018.10.037
Homo sapiens HT-29 GI 59.29 % 10.1016/j.ejmech.2018.10.037
Homo sapiens HT-29 IC50 220.0 nM 10.1021/jm101354u
Homo sapiens HT-29 IC50 1900.0 nM 10.1021/acs.jnatprod.5b00072
Homo sapiens HT-29 IC50 3550.0 nM 10.1016/j.ejmech.2019.111807
Homo sapiens HT-29 IC50 3960.0 nM 10.1016/j.ejmech.2019.111807
Homo sapiens HT-29 IC50 4800.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens HT-29 IC50 6850.0 nM 10.1016/j.bmcl.2021.128146
Homo sapiens HT-29 IC50 9500.0 nM 10.1016/j.ejmech.2020.112599
Homo sapiens HT-29 IC50 82750.0 nM 10.1016/j.ejmech.2014.02.018
Homo sapiens HT-29 Ratio IC50 1.12 None 10.1016/j.ejmech.2019.111807
Homo sapiens HT-29 T/C 42.22 % 10.1016/j.bmc.2015.03.031
Homo sapiens HT-29 TGI nan None 10.1021/jm301788a
Homo sapiens HT-29 TIME 153.6 hr 10.1021/jm3012933
Homo sapiens IGROV-1 IC50 30.0 nM 10.1021/jm101354u
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 JeKo-1 Activity 48.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens JeKo-1 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens K562 GI50 1900.0 nM 10.1021/np500552a
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB IC50 6314.3 nM 10.1016/j.ejmech.2019.111971
Homo sapiens KB IC50 7990.0 nM 10.1016/j.bmcl.2017.02.066
Homo sapiens KB IC50 7990.0 nM 10.1016/j.bmcl.2017.07.078
Homo sapiens KB IC50 7990.0 nM 10.1016/j.bmcl.2017.09.012
Homo sapiens KB IC50 9800.0 nM 10.1021/jm5003588
Homo sapiens KB IC50 9828.0 nM 10.1016/j.ejmech.2016.02.070
Homo sapiens KB IC50 9830.0 nM 10.1016/j.bmcl.2012.10.002
Homo sapiens KM-H2 Activity 12.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens KM-H2 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens L02 IC50 1305.0 nM 10.1021/acs.jmedchem.0c00305
Homo sapiens L02 IC50 22220.0 nM 10.1016/j.bmcl.2023.129128
Homo sapiens L-428 Activity 0.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens L-428 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
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 LNCaP IC50 9.0 nM 10.1021/jm101354u
Homo sapiens LoVo IC50 4990.0 nM 10.1016/j.bmc.2010.03.039
Homo sapiens LoVo IC50 8800.0 nM 10.1021/jm100387d
Homo sapiens LoVo IC50 9015.0 nM 10.1016/j.bmc.2007.10.046
Homo sapiens LS174T IC50 700.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens LS174T IC50 1160.0 nM 10.1016/j.bmc.2008.05.022
Homo sapiens Malme-3M IC50 200.0 nM 10.1021/jm101354u
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 6060.0 nM 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 MCF7 CI 0.16 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 0.18 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 0.78 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 0.97 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 1.16 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 1.3 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 1.4 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 1.49 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 1.6 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI 2.1 None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 CI nan None 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 Efficacy 82.0 % 10.1021/acs.jnatprod.5b00072
Homo sapiens MCF7 GI50 1000.0 nM 10.1016/j.bmc.2007.03.067
Homo sapiens MCF7 GI50 10000.0 nM 10.1016/j.bmc.2011.10.014
Homo sapiens MCF7 IC50 160.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 210.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 500.0 nM 10.1021/acs.jnatprod.5b00877
Homo sapiens MCF7 IC50 800.0 nM 10.1016/j.bmcl.2021.128066
Homo sapiens MCF7 IC50 800.0 nM 10.1021/acs.jnatprod.9b00580
Homo sapiens MCF7 IC50 900.0 nM 10.1021/acs.jnatprod.5b00072
Homo sapiens MCF7 IC50 1680.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 1880.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 1980.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 2420.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 11300.0 nM 10.1016/j.bmcl.2017.02.066
Homo sapiens MCF7 IC50 11300.0 nM 10.1016/j.bmcl.2017.09.012
Homo sapiens MCF7 IC50 11320.0 nM 10.1016/j.bmcl.2017.07.078
Homo sapiens MCF7 IC50 12250.0 nM 10.1016/j.ejmech.2020.112067
Homo sapiens MCF7 IC50 14100.0 nM 10.1016/j.bmcl.2021.128146
Homo sapiens MCF7 IC50 17403.0 nM 10.1016/j.bmc.2007.10.046
Homo sapiens MCF7 IC50 26330.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 38100.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 39200.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 IC50 42400.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens MCF7 Inhibition 93.6 % 10.1021/acs.jnatprod.6b00783
Homo sapiens MDA-MB-231 Activity 2.0 mm3 10.1016/j.bmc.2008.06.046
Homo sapiens MDA-MB-231 Activity 19.0 mm3 10.1016/j.bmc.2008.06.046
Homo sapiens MDA-MB-231 Activity 63.0 mm3 10.1016/j.bmc.2008.06.046
Homo sapiens MDA-MB-231 Activity 75.0 mm3 10.1016/j.bmc.2008.06.046
Homo sapiens MDA-MB-231 GI50 9170.0 nM 10.1016/j.bmc.2011.10.014
Homo sapiens MDA-MB-231 IC50 14282.0 nM 10.1016/j.ejmech.2019.111971
Homo sapiens MDA-MB-231 IC50 15560.0 nM 10.1016/j.bmcl.2017.07.078
Homo sapiens MDA-MB-231 IC50 15600.0 nM 10.1016/j.bmcl.2017.02.066
Homo sapiens MDA-MB-231 IC50 15600.0 nM 10.1016/j.bmcl.2017.09.012
Homo sapiens MDA-MB-435 Activity 100.0 mm3 10.1021/jm1000612
Homo sapiens MDA-MB-435 GI50 12200.0 nM 10.1021/jm300605m
Homo sapiens MDA-MB-435 IC50 1140.0 nM 10.1016/j.bmc.2010.03.039
Homo sapiens MDA-MB-435 IC50 6300.0 nM 10.1021/acs.jmedchem.5b00910
Homo sapiens MDA-MB-435 IC50 17000.0 nM 10.1021/jm100387d
Homo sapiens MDA-MB-435 T/C 6.1 % 10.1021/jm1000612
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
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 MG-63 IC50 18090.0 nM 10.1016/j.ejmech.2020.112067
Homo sapiens MIA PaCa-2 IC50 1329.0 nM 10.1021/acs.jmedchem.0c00305
Homo sapiens MM473 Inhibition 37.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens MRC5 GI50 77530.0 nM 10.1016/j.bmc.2009.09.021
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 2100.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 4300.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 7900.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 49.0 % 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 IC50 7900.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 IC50 78600.0 nM 10.1021/jm301302s
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None None
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
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 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
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 1556.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 217.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens NB-4 IC50 1000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens NCI/ADR-RES ID50 500.0 nM 10.1016/s0960-894x(02)00153-1
Homo sapiens NCI-H1299 CI 0.25 None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 CI 0.66 None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 CI 1.04 None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 CI 1.1 None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 CI 1.13 None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 CI nan None 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 220.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 270.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 1670.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 1830.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 9830.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 11120.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 13130.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 15220.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens NCI-H1299 IC50 nan None 10.1016/j.bmc.2021.116360
Homo sapiens NCI-H1299 TGI 67.0 % 10.1021/ml5002745
Homo sapiens NCI-H1299 TGI 83.0 % 10.1021/ml5002745
Homo sapiens NCI-H1417 IC50 9790.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H146 IC50 11510.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H1650 IC50 39670.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H1975 IC50 21490.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H211 IC50 2810.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H2170 IC50 18810.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H226 IC50 4250.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H446 Activity 2.28 g 10.1016/j.ejmech.2022.114610
Homo sapiens NCI-H446 IC50 0.01 nM 10.1016/j.ejmech.2022.114610
Homo sapiens NCI-H446 IC50 0.13 nM 10.1016/j.ejmech.2022.114610
Homo sapiens NCI-H446 IC50 0.15 nM 10.1016/j.ejmech.2022.114610
Homo sapiens NCI-H446 TGI 26.79 % 10.1016/j.ejmech.2022.114610
Homo sapiens NCI-H460 IC50 15.0 nM 10.1021/jm101354u
Homo sapiens NCI-H460 IC50 27.0 nM 10.1021/jm101354u
Homo sapiens NCI-H460 IC50 2400.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens NCI-H460 IC50 5150.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H460 Ratio 2.0 None 10.1021/jm101354u
Homo sapiens NCI-H520 IC50 36160.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H526 Activity nan None 10.1016/j.ejmech.2016.12.046
Homo sapiens NCI-H526 IC50 490.0 nM 10.1021/acs.jmedchem.0c01733
Homo sapiens NCI-H69 IC50 22.0 nM 10.1021/jm101354u
Homo sapiens NCI-H82 IC50 2260.0 nM 10.1021/acs.jmedchem.0c01733
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 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 IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens OCI-Ly3 Activity 0.0 % 10.1016/j.ejmech.2017.11.021
Homo sapiens OCI-Ly3 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens Ovarian cancer cell line IC50 75300.0 nM 10.1021/acs.jmedchem.2c00573
Homo sapiens OVCAR-3 Activity 38.53 mm3/day None
Homo sapiens PC-3 IC50 4.0 nM 10.1021/jm101354u
Homo sapiens PC-3 IC50 nan None 10.1016/j.bmc.2021.116360
Homo sapiens P-glycoprotein 1 Activity nan None 10.1038/nrd3028
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 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 RKO IC50 700.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens RKO IC50 6200.0 nM 10.1021/acs.jnatprod.5b00743
Homo sapiens RPMI 8402 IC50 570.0 nM 10.1021/jm020498a
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 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 IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
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 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SJSA-1 Inhibition 0.0002 % 10.1021/jm901400z
Homo sapiens SK-MEL-2 IC50 100.0 nM 10.1021/jm101354u
Homo sapiens SK-OV-3 Activity 2.9 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 3.72 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 5.78 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 6.24 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 21.58 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 30.01 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 51.2 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 66.27 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 80.86 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 81.99 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity 85.03 % 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Activity nan None 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 IC50 13630.0 nM 10.1016/j.ejmech.2020.112067
Homo sapiens SK-OV-3 Inhibition 53.5 % 10.1016/j.ejmech.2020.112067
Homo sapiens Solute carrier family 22 member 1 IC50 20800.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier family 22 member 2 IC50 2700.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier family 22 member 3 IC50 74600.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Activity 60.0 % 10.1124/dmd.104.001909
Homo sapiens Solute carrier organic anion transporter family member 1B1 Activity 60.0 % 10.1124/dmd.32.3.291
Homo sapiens Solute carrier organic anion transporter family member 1B1 Activity 93.3 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B1 Activity nan None 10.1124/dmd.104.001909
Homo sapiens Solute carrier organic anion transporter family member 1B1 Activity nan None 10.1124/dmd.32.3.291
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 40.5 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 26.9 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 34.3 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 16.3 % 10.1021/jm300212s
Homo sapiens SW1990 IC50 100000.0 nM 10.1016/j.ejmech.2020.112509
Homo sapiens SW480 Activity 0.871 % 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 Activity 3.45 % 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 Activity 10.7 % 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 Activity 74.5 % 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 Activity 85.0 % 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 Activity nan None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 0.22 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 0.25 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 1.02 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 1.6 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 2.4 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 3.2 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI 3.4 None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 CI nan None 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 70.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 120.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 600.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 1400.0 nM 10.1016/j.bmcl.2021.128066
Homo sapiens SW480 IC50 1400.0 nM 10.1021/acs.jnatprod.5b00877
Homo sapiens SW480 IC50 1400.0 nM 10.1021/acs.jnatprod.9b00580
Homo sapiens SW480 IC50 3800.0 nM 10.1021/acs.jnatprod.2c00224
Homo sapiens SW480 IC50 7200.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 11170.0 nM 10.1016/j.bmcl.2023.129128
Homo sapiens SW480 IC50 12300.0 nM 10.1021/acs.jnatprod.5b00743
Homo sapiens SW480 IC50 12400.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 IC50 15400.0 nM 10.1016/j.ejmech.2022.114196
Homo sapiens SW480 Inhibition 95.0 % 10.1021/acs.jnatprod.6b00783
Homo sapiens SW-620 Activity 0.34 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 4.12 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 5.3 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 7.84 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 13.18 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 33.53 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 55.12 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 81.18 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity 87.7 % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Activity nan None 10.1021/jm2007326
Homo sapiens SW-620 IC50 5.1 nM 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 Inhibition nan % 10.1016/j.bmc.2020.115849
Homo sapiens SW-620 TGI 74.0 % 10.1021/acsmedchemlett.8b00200
Homo sapiens SW-620 TGI nan None 10.1021/acs.jmedchem.6b00519
Homo sapiens T-24 Inhibition 23.8 % 10.1016/j.ejmech.2008.01.008
Homo sapiens T47D Activity nan None 10.1016/j.ejmech.2019.111990
Homo sapiens T84 Efficacy 82.0 % 10.1021/acs.jnatprod.5b00072
Homo sapiens T84 IC50 6.9 nM 10.1016/j.bmc.2020.115849
Homo sapiens T84 IC50 1200.0 nM 10.1021/acs.jnatprod.5b00072
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
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 Tyrosyl-DNA phosphodiesterase 1 Potency 1778.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3162.3 nM None
Homo sapiens U-251 IC50 nan None 10.1016/j.bmcl.2021.128066
Homo sapiens U-251 IC50 nan None 10.1021/acs.jnatprod.9b00580
Homo sapiens U2932 IC50 4400.0 nM 10.1016/j.ejmech.2017.11.021
Homo sapiens U2OS IC50 14210.0 nM 10.1016/j.ejmech.2020.112067
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 IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens WiDr IC50 13900.0 nM 10.1016/j.bmc.2021.116360
Homo sapiens ZR-75-30 IC50 18000.0 nM 10.1016/j.bmcl.2017.03.039
Mus musculus Colon 26 Activity nan None 10.1016/j.bmc.2018.11.037
Mus musculus L1210 IC50 1200.0 nM 10.1021/jm00105a017
Mus musculus Mus musculus Activity 3.66 g 10.1016/j.ejmech.2016.03.029
Mus musculus Mus musculus Activity 8.0 % 10.1016/j.ejmech.2014.02.018
Mus musculus Mus musculus Activity 12.7 % 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 18.4 g 10.1021/jm1000612
Mus musculus Mus musculus Activity 19.5 g 10.1021/jm1000612
Mus musculus Mus musculus Activity 19.8 g 10.1021/jm1000612
Mus musculus Mus musculus Activity 19.9 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 20.5 g 10.1016/j.ejmech.2016.11.013
Mus musculus Mus musculus Activity 20.7 g 10.1021/jm1000612
Mus musculus Mus musculus Activity 20.8 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 21.3 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 21.6 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 22.3 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 22.4 g 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity 147.0 g 10.1016/j.ejmech.2016.11.013
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2015.03.031
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2016.11.013
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2018.07.028
Mus musculus Mus musculus Activity nan None 10.1021/jm300969t
Mus musculus Mus musculus Activity nan None 10.1021/jm3012933
Mus musculus Mus musculus Activity nan None 10.1021/jm301788a
Mus musculus Mus musculus Antitumor activity 1.16 g 10.1021/jm031072e
Mus musculus Mus musculus Antitumor activity 1.24 g 10.1021/jm031072e
Mus musculus Mus musculus Antitumor activity 1.31 g 10.1021/jm031072e
Mus musculus Mus musculus Antitumor activity 49.5 % 10.1021/jm031072e
Mus musculus Mus musculus BWC -28.0 % 10.1016/j.bmcl.2005.04.063
Mus musculus Mus musculus Cures 0.0 None 10.1021/jm020420u
Mus musculus Mus musculus Growth delay 7.0 day 10.1021/jm020420u
Mus musculus Mus musculus ILS 138.0 % 10.1021/jm00105a017
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jmedchem.0c00305
Mus musculus Mus musculus Inhibition rate 46.6 % 10.1021/jm031072e
Mus musculus Mus musculus Inhibition rate 52.7 % 10.1021/jm031072e
Mus musculus Mus musculus LD50 177.5 mg.kg-1 10.1021/jm5003588
Mus musculus Mus musculus %max -3.0 % 10.1016/j.ejmech.2014.02.018
Mus musculus Mus musculus %max 0.0 % 10.1016/j.ejmech.2014.02.018
Mus musculus Mus musculus MTD 100.0 mg kg-1 10.1016/j.bmcl.2009.02.031
Mus musculus Mus musculus MTD 100.0 mg kg-1 10.1016/j.bmcl.2009.03.123
Mus musculus Mus musculus MTD 200.0 mg kg-1 10.1016/s0960-894x(02)00153-1
Mus musculus Mus musculus MTD 245.0 uM kg-1 10.1021/jm00105a017
Mus musculus Mus musculus Survival time 12.5 day 10.1021/jm031072e
Mus musculus Mus musculus Survival time 13.2 day 10.1016/j.bmcl.2003.12.098
Mus musculus Mus musculus Survival time 13.2 day 10.1021/jm031072e
Mus musculus Mus musculus Survival time 14.5 day 10.1021/jm031072e
Mus musculus Mus musculus Survival time 14.7 day 10.1021/jm031072e
Mus musculus Mus musculus Survival time 15.7 day 10.1021/jm031072e
Mus musculus Mus musculus Survival time 17.5 day 10.1021/jm031072e
Mus musculus Mus musculus T/C 129.0 % 10.1021/jm031072e
Mus musculus Mus musculus T/C 152.0 % 10.1021/jm031072e
Mus musculus Mus musculus T/C 162.0 % 10.1021/jm031072e
Mus musculus Mus musculus T/C 172.0 % 10.1016/j.bmcl.2003.12.098
Mus musculus Mus musculus T/C 172.0 % 10.1021/jm031072e
Mus musculus Mus musculus T/C 189.0 % 10.1021/jm031072e
Mus musculus Mus musculus T/C 217.0 % 10.1016/s0960-894x(02)00153-1
Mus musculus Mus musculus T/C 228.0 % 10.1021/jm031072e
Mus musculus Mus musculus TW 0.01 None 10.1016/j.bmcl.2005.04.063
Mus musculus Mus musculus TWI 99.4 % 10.1016/j.bmcl.2005.04.063
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P-glycoprotein 1 and 3 (MDR1a/MDR1b) Activity nan None 10.1007/s00280-001-0420-4
Mus musculus P-glycoprotein 3 Activity nan None 10.1023/a:1023847521767
Oryctolagus cuniculus Acyl coenzyme A:cholesterol acyltransferase Activity 2.147 nM/mg*min 10.1016/s0960-894x(98)00039-0
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
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 IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
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 Liver carboxylesterase 3 Activity 0.259 nM/mg*min 10.1016/s0960-894x(98)00039-0
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma T1/2 0.75 hr 10.1016/j.bmcl.2012.07.061
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 299.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 330.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 334.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 367.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 402.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 415.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 38.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 79.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 85.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 100.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 101.0 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 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 146.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 180.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 213.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 96.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 650.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 686.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 735.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 763.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 268.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 339.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 421.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 434.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 578.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 991.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 22670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 16.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 23.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 58.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 80.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 215.0 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 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1488.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1510.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1526.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1551.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1570.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1716.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.85 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.68 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 142300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 143000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 146000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 151000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 294.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 382.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 395.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 435.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 530.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 603.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8779.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9024.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10356.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10653.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12448.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15491.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 95.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.0 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 25.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 387700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 397700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 400700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.5 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.47 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.73 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.2 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 17.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 74.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 116.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 139.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 259.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 470.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 658.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 746.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 933.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1635.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 129.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 134.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 135.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 143.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 150.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1185670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1219500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1232330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1248670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1288000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1386670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.54 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.66 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.68 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.75 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 66700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5350000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5400000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5760000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5880000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5970000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6320000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 139.78 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.97 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.3 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 URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 20.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 28.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9930.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10070.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10900.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14370.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 17670.0 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 Thioredoxin reductase 1, cytoplasmic Potency 25118.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 121.15 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.01 % 10.6019/CHEMBL4495565
Torpedo californica Acetylcholinesterase Ki 26.4 nM 10.1021/jm701253t
None ADMET Activity nan None 10.1016/j.bmcl.2023.129128
None ADMET Activity nan None 10.1016/j.ejmech.2020.112067
None ADMET Activity nan None 10.1021/acs.jmedchem.0c00305
None ADMET Activity nan None 10.1021/acs.jnatprod.2c00224
None ADMET Activity nan None 10.1021/acs.jnatprod.2c00832
None ADMET CL 3.0 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 3.9 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 7.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 7.4 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 11.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 13.49 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 37.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET Drugexcretion 37.0 % 10.1016/j.bmcl.2016.12.085
None ADMET Drug metabolism nan None 10.1021/acs.jmedchem.0c00305
None ADMET Drug uptake nan None 10.1021/acs.jmedchem.0c00305
None ADMET IC50 1.0 nM 10.1021/jm101354u
None ADMET IC50 110.0 nM 10.1021/jm101354u
None ADMET IC90 800.0 nM 10.1021/jm101354u
None ADMET LD50 85.1 mg.kg-1 10.1016/j.ejmech.2020.112509
None ADMET MRT 8.3 hr 10.1124/dmd.108.020479
None ADMET No. of mice dead 0.0 None 10.1016/j.bmcl.2005.04.063
None ADMET Papp 1.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 1.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.9 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 4.1 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 5.1 ucm/s 10.1124/dmd.110.034629
None ADMET PPB 57.99 % 10.6019/CHEMBL3301361
None ADMET Ratio 1.7 None 10.1124/dmd.110.034629
None ADMET Ratio 2.7 None 10.1124/dmd.110.034629
None ADMET Ratio 3.7 None 10.1124/dmd.110.034629
None ADMET Ratio 21.0 None 10.1124/dmd.110.034629
None ADMET Ratio 23.0 None 10.1124/dmd.110.034629
None ADMET Ratio 29.0 None 10.1124/dmd.110.034629
None ADMET Ratio 38.0 None 10.1124/dmd.110.034629
None ADMET Ratio 54.0 None 10.1124/dmd.110.034629
None ADMET Ratio 66.0 None 10.1124/dmd.110.034629
None ADMET Ratio 85.0 None 10.1021/jm101354u
None ADMET Ratio 100.0 None 10.1021/jm101354u
None ADMET Ratio IC50 1.39 None 10.1016/j.bmcl.2023.129128
None ADMET Ratio IC50 1.56 None 10.1016/j.bmcl.2023.129128
None ADMET T1/2 9.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 56.8 hr 10.1016/j.ejmech.2022.114304
None ADMET Vdss 1.0 L.kg-1 10.1002/jps.20373
None ADMET Vdss 2.1 L.kg-1 10.1002/jps.20373
None ADMET Vdss 3.2 mL/min/kg 10.1002/jps.20373
None ADMET Vdss 3.5 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 3.8 L.kg-1 10.1002/jps.20373
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 4.1 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 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 2.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 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 2.0 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 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 4.1 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 6.1 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 6.1 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Mononuclear cell line IC50 25400.0 nM 10.1021/acs.jmedchem.2c00573
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET Efficacy 76.0 % 10.1021/acs.jnatprod.5b00072
None NON-PROTEIN TARGET Fu 0.51 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI50 4730.0 nM 10.1016/j.bmc.2009.09.021
None NON-PROTEIN TARGET GI50 4730.0 nM 10.1016/j.bmc.2011.10.014
None NON-PROTEIN TARGET GI50 10000.0 nM 10.1016/j.bmc.2009.09.021
None NON-PROTEIN TARGET GI50 10000.0 nM 10.1016/j.bmc.2011.10.014
None NON-PROTEIN TARGET GI50 14125.38 nM 10.1016/j.bmcl.2010.10.004
None NON-PROTEIN TARGET Hepatotoxicity (acute) 4.2 % 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) 12.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 13.3 % 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 10.0 nM 10.1021/jm101354u
None NON-PROTEIN TARGET IC50 22.0 nM 10.1021/jm101354u
None NON-PROTEIN TARGET IC50 680.0 nM 10.1016/j.bmc.2008.08.018
None NON-PROTEIN TARGET IC50 800.0 nM 10.1021/acs.jnatprod.5b00072
None NON-PROTEIN TARGET IC50 2000.0 nM 10.1021/acs.jnatprod.5b00743
None NON-PROTEIN TARGET IC50 7400.0 nM 10.1016/j.bmc.2008.08.018
None NON-PROTEIN TARGET IC50 7530.0 nM 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET IC50 8500.0 nM 10.1021/acs.jnatprod.5b00743
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1016/j.bmcl.2012.10.002
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1016/j.ejmech.2016.02.070
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1021/jm5003588
None NON-PROTEIN TARGET IC50 25100.0 nM 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET IC50 40000.0 nM 10.1016/j.bmc.2008.08.018
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1021/jm020498a
None NON-PROTEIN TARGET IC50 250000.0 nM 10.1039/C4MD00264D
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET IC50 nan None None
None NON-PROTEIN TARGET Inhibition nan % 10.1021/jm5003588
None NON-PROTEIN TARGET LC50 95499.26 nM 10.1016/j.bmcl.2010.10.004
None NON-PROTEIN TARGET %max 90.0 % 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET %max 92.0 % 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET TGI 32.7 % None
None NON-PROTEIN TARGET TGI 68.6 % 10.1021/acs.jnatprod.5b00743
None NON-PROTEIN TARGET TGI 70.2 % 10.1016/j.ejmech.2016.03.029
None NON-PROTEIN TARGET TGI 78.0 % None
None NON-PROTEIN TARGET TGI 85.0 % 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET TGI 90.0 % 10.1016/j.ejmech.2014.02.018
None No relevant target LogP 3.2 None 10.1016/j.ejmech.2009.12.043
None No relevant target pKa 10.9 None 10.1007/s11095-013-1232-z
None No relevant target Solubility 597.4 ug.mL-1 10.1016/j.bmcl.2023.129128
None No relevant target Solubility 1203.0 ug.mL-1 10.1016/j.bmcl.2023.129128
None No relevant target Solubility 5594.0 ug.mL-1 10.1016/j.bmcl.2023.129128
None Unchecked Activity 36.0 % 10.1016/j.ejmech.2017.11.021
None Unchecked Hepatotoxicity (acute) 3.0 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) 2.0 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) 1.0 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) 0.0 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 740.0 nM 10.1016/j.ejmech.2017.11.021
None Unchecked IC50 9400.0 nM 10.1016/j.ejmech.2017.11.021
None Unchecked IC50 10000.0 nM 10.1016/j.ejmech.2017.11.021
None Unchecked IC50 10376.3 nM 10.1016/j.ejmech.2019.111971
None Unchecked IC50 14980.0 nM 10.1021/acs.jmedchem.0c01733
None Unchecked IC50 20000.0 nM 10.1016/j.bmcl.2017.02.066
None Unchecked IC50 20000.0 nM 10.1016/j.bmcl.2017.07.078
None Unchecked IC50 20000.0 nM 10.1016/j.bmcl.2017.09.012
None Unchecked IC50 20100.0 nM 10.1016/j.ejmech.2017.11.021
None Unchecked IC50 26550.0 nM 10.1016/j.ejmech.2020.112067
None Unchecked IC50 29300.0 nM 10.1021/acs.jmedchem.2c00573
None Unchecked IC50 89600.0 nM 10.1021/acs.jmedchem.2c00573
None Unchecked IC50 nan None None
None Unchecked Ki nan None None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Ratio 0.29 None 10.1021/jm301302s
None Unchecked Ratio 0.54 None 10.1021/jm301302s
None Unchecked Ratio 1.1 None 10.1021/jm301302s
None Unchecked Ratio 2.0 None 10.1021/jm101354u
None Unchecked Ratio 11.0 None 10.1021/jm101354u
None Unchecked Ratio IC50 1.78 None 10.1016/j.bmcl.2023.129128
None Unchecked Ratio IC50 1.99 None 10.1016/j.bmcl.2023.129128
None Unchecked Ratio IC50 5.3 None 10.1016/j.ejmech.2017.11.021
None Unchecked Ratio IC50 13.0 None 10.1016/j.ejmech.2022.114610
None Unchecked Ratio IC50 15.0 None 10.1016/j.ejmech.2022.114610
None Unchecked Survival 10.3 months 10.1021/np030498t

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010335 CCc1c2c(nc3ccc(OC(=O)N4CCC(N)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.O=CCCCC=O>>CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC MNXR150199
AKRT010337 CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC>>CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC R08255
AKRT010338 CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC>>O=C(O)N1CCC(N2CCCCC2)CC1 R08255