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name Structure Reference Source Properties Activities Metabolism

Hydroxycamptothecin

AlkaPlorer ID: AK005223

Synonym: None

IUPAC Name: (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Structure

SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=CC=C(O)C=C4C=C3CN1C2=O

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InChI: InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1

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InChIKey: HAWSQZCWOQZXHI-FQEVSTJZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Camptotheca acuminata Camptotheca Nyssaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 364.35700000000014

TPSA？: 101.65

MolLogP？: 1.7851999999999992

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis Activity nan None 10.1021/np50049a003
Bos taurus Topoisomerase I Inhibition nan % 10.1016/j.ejmech.2018.02.041
Electrophorus electricus Acetylcholinesterase Inhibition -5.24 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 6.63 % 10.1016/j.bmc.2012.09.040
Equus caballus Ferritin light chain Potency 35481.3 nM None
Escherichia coli Escherichia coli Activity nan None 10.1021/np50049a003
Homo sapiens 786-0 GI50 24.1 nM None
Homo sapiens A2780 IC50 4.0 nM 10.1016/j.bmcl.2012.07.061
Homo sapiens A2780 IC50 700.0 nM 10.1021/jm900469e
Homo sapiens A-375 Activity nan None 10.1016/j.ejmech.2015.04.006
Homo sapiens A-375 IC50 150.0 nM 10.1016/j.ejmech.2013.04.016
Homo sapiens A-375 IC50 27800.0 nM 10.1016/j.ejmech.2015.04.006
Homo sapiens A-375 IC50 27800.0 nM 10.1016/j.ejmech.2015.08.004
Homo sapiens A498 GI50 86.3 nM None
Homo sapiens A549 GI50 50.58 nM None
Homo sapiens A549 IC50 33.6 nM 10.1016/j.ejmech.2012.05.002
Homo sapiens A549 IC50 70.0 nM 10.1016/j.bmcl.2013.03.037
Homo sapiens A549 IC50 80.0 nM 10.1016/j.ejmech.2020.112528
Homo sapiens A549 IC50 82.0 nM 10.1016/j.bmcl.2015.12.014
Homo sapiens A549 IC50 110.0 nM 10.1016/j.bmcl.2009.06.010
Homo sapiens A549 IC50 300.0 nM 10.1016/j.ejmech.2013.04.016
Homo sapiens A549 IC50 800.0 nM 10.1016/j.ejmech.2016.10.068
Homo sapiens A549 IC50 800.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens A549 IC50 1750.0 nM 10.1016/j.bmcl.2018.06.024
Homo sapiens A549 IC50 2750.0 nM 10.1039/C7MD00105C
Homo sapiens A549 IC50 9130.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens ACHN GI50 11.56 nM None
Homo sapiens Bcap37 Activity nan None 10.1007/s00044-013-0854-3
Homo sapiens Bcap37 Activity nan None 10.1016/j.ejmech.2014.07.053
Homo sapiens Bcap37 Activity nan None 10.1016/j.ejmech.2015.04.006
Homo sapiens Bcap37 GI 8.8 % 10.1039/C1MD00038A
Homo sapiens Bcap37 GI 28.1 % 10.1016/j.ejmech.2012.08.048
Homo sapiens Bcap37 GI 33.5 % 10.1039/C1MD00038A
Homo sapiens Bcap37 IC50 20000.0 nM 10.1016/j.ejmech.2012.08.048
Homo sapiens Bcap37 IC50 28100.0 nM 10.1016/j.ejmech.2015.04.006
Homo sapiens Bcap37 IC50 28100.0 nM 10.1016/j.ejmech.2015.08.004
Homo sapiens Bel-7402 IC50 0.62 ug.mL-1 10.1021/np0304159
Homo sapiens Bel-7402 IC50 200.0 nM 10.1016/j.bmcl.2013.03.037
Homo sapiens Bel-7402 IC50 200.0 nM 10.1021/jm900469e
Homo sapiens Bel-7402 IC50 280.0 nM 10.1021/np060106t
Homo sapiens Bel-7402 IC50 360.0 nM 10.1021/np9007188
Homo sapiens Bel-7402 IC50 400.0 nM 10.1021/np8004858
Homo sapiens Bel-7402 IC50 2470.0 nM 10.1016/j.bmcl.2005.02.072
Homo sapiens BGC-823 Activity 3.72 % 10.1016/j.bmc.2007.10.072
Homo sapiens BGC-823 Activity 4.78 % 10.1016/j.bmc.2007.10.072
Homo sapiens BGC-823 Activity 6.47 % 10.1016/j.bmc.2007.10.072
Homo sapiens BGC-823 Activity 13.2 % 10.1016/j.bmc.2007.10.072
Homo sapiens BT-549 GI50 54.33 nM None
Homo sapiens Caco-2 Peff 1.01 ucm/s 10.1021/ml400125z
Homo sapiens Caco-2 Peff 7.88 ucm/s 10.1021/ml400125z
Homo sapiens CAKI-1 GI50 9.705 nM None
Homo sapiens Caspase-1 Potency 15848.9 nM None
Homo sapiens Caspase-7 Potency 15848.9 nM None
Homo sapiens CCRF-CEM GI50 7.499 nM None
Homo sapiens COLO 205 GI50 125.31 nM None
Homo sapiens COLO 205 IC50 9.1 nM 10.1021/jm701151c
Homo sapiens COLO 205 IC50 nan None 10.1016/j.ejmech.2020.112528
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens DLD-1 GI50 1196.74 nM None
Homo sapiens DMS-114 GI50 13.61 nM None
Homo sapiens DMS-273 GI50 17.7 nM None
Homo sapiens DNA topoisomerase I CC50 1000.0 nM 10.1021/jm00105a017
Homo sapiens DNA topoisomerase I IC50 110.0 nM 10.1021/jm00070a013
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.bmc.2014.11.020
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2012.05.002
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2013.07.026
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2016.10.068
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2020.112509
Homo sapiens DU-145 GI50 10.0 nM None
Homo sapiens EKVX GI50 62.95 nM None
Homo sapiens HCC 2998 GI50 35.16 nM None
Homo sapiens HCT-116 GI50 15.67 nM None
Homo sapiens HCT-116 IC50 21.0 nM 10.1016/j.ejmech.2020.112528
Homo sapiens HCT-116 IC50 31.2 nM 10.1016/j.ejmech.2012.05.002
Homo sapiens HCT-116 IC50 50.0 nM 10.1016/j.bmc.2022.116803
Homo sapiens HCT-116 IC50 148.0 nM 10.1016/j.bmcl.2005.02.072
Homo sapiens HCT-116 IC50 300.0 nM 10.1016/j.bmcl.2013.03.037
Homo sapiens HCT-116 IC50 3200.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens HCT-116 IC50 3500.0 nM 10.1016/j.ejmech.2016.10.068
Homo sapiens HCT-15 GI50 295.12 nM None
Homo sapiens HeLa Activity 60.0 % 10.1016/j.ejmech.2020.112670
Homo sapiens HeLa IC50 60.0 nM 10.1016/j.bmc.2022.116803
Homo sapiens HeLa IC50 10040.0 nM 10.1016/j.bmcl.2017.03.010
Homo sapiens HeLa IC50 29160.0 nM 10.1021/acs.jmedchem.6b01769
Homo sapiens HeLa IC50 29500.0 nM 10.1021/np300412h
Homo sapiens HeLa IC50 nan None 10.1016/j.ejmech.2020.112528
Homo sapiens Hemoglobin beta chain Potency 12589.3 nM None
Homo sapiens HepG2 GI 85.4 % 10.1016/j.ejmech.2013.07.026
Homo sapiens HepG2 IC50 5.4 nM 10.1021/jm701151c
Homo sapiens HepG2 IC50 499.0 nM 10.1016/j.bmc.2014.11.020
Homo sapiens HepG2 IC50 981.0 nM 10.1016/j.bmcl.2011.02.080
Homo sapiens HepG2 IC50 1470.0 nM 10.1016/j.bmcl.2018.12.059
Homo sapiens HepG2 IC50 2270.0 nM 10.1016/j.bmcl.2015.12.014
Homo sapiens HepG2 IC50 3190.0 nM 10.1016/j.bmcl.2018.06.024
Homo sapiens HepG2 IC50 3700.0 nM 10.1021/np900814s
Homo sapiens HepG2 IC50 5520.0 nM 10.1021/acs.jmedchem.6b01769
Homo sapiens HepG2 IC50 10100.0 nM 10.1016/j.ejmech.2016.10.068
Homo sapiens HepG2 IC50 10210.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens HepG2 IC50 10300.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens HepG2 Inhibition 92.0 % 10.1016/j.bmcl.2011.07.038
Homo sapiens HepG2 TGI 71.6 % 10.1021/acs.jmedchem.6b01769
Homo sapiens Histone acetyltransferase GCN5 Potency 35481.3 nM None
Homo sapiens Histone deacetylase 6 Inhibition -6.62 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -5.63 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 16.07 nM None
Homo sapiens HL-60 IC50 0.024 ug.mL-1 10.1021/np0304159
Homo sapiens HL-60 IC50 40.0 nM 10.1021/np900814s
Homo sapiens HL-60 IC50 250.0 nM 10.1016/j.ejmech.2013.04.016
Homo sapiens HL-60 IC50 410.0 nM 10.1021/np060106t
Homo sapiens Homo sapiens Activity 1.7 None 10.1021/jm00069a020
Homo sapiens Homo sapiens Activity 4.0 % 10.1021/jm00069a020
Homo sapiens Homo sapiens Activity 6.0 % 10.1021/jm00069a020
Homo sapiens Homo sapiens Activity 16.0 % 10.1021/jm00069a020
Homo sapiens Homo sapiens K 135.0 1/Maa 10.1021/jm00069a020
Homo sapiens Homo sapiens K 264.0 1/Maa 10.1021/jm00069a020
Homo sapiens Homo sapiens T1/2 0.31 hr 10.1021/jm00069a020
Homo sapiens Homo sapiens T1/2 0.3517 hr 10.1021/jm00069a020
Homo sapiens Homo sapiens T1/2 0.3683 hr 10.1021/jm00069a020
Homo sapiens Homo sapiens T bound 5.4 ns 10.1021/jm00027a005
Homo sapiens Homo sapiens T bound 5.5 ns 10.1021/jm00027a005
Homo sapiens HOP-18 GI50 109.14 nM None
Homo sapiens HOP-62 GI50 10.91 nM None
Homo sapiens HOP-92 GI50 27.73 nM None
Homo sapiens Hs-578T GI50 1042.32 nM None
Homo sapiens HT-29 GI50 74.47 nM None
Homo sapiens HT-29 IC50 8.8 nM 10.1021/jm701151c
Homo sapiens HT-29 IC50 210.0 nM 10.1016/j.bmcl.2009.06.010
Homo sapiens HUVEC IC50 18200.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens IGROV-1 GI50 476.43 nM None
Homo sapiens Jurkat IC50 30.0 nM 10.1021/np900814s
Homo sapiens K562 GI50 31.48 nM None
Homo sapiens K562 IC50 160.0 nM 10.1021/np9007188
Homo sapiens K562 IC50 4100.0 nM 10.1021/np8004858
Homo sapiens KB IC50 128.0 nM 10.1016/j.bmc.2014.11.020
Homo sapiens KB IC50 600.0 nM 10.1016/j.bmcl.2013.03.037
Homo sapiens KB IC50 600.0 nM 10.1021/jm900469e
Homo sapiens KB IC50 829.0 nM 10.1016/j.bmcl.2011.02.080
Homo sapiens KM12 GI50 105.44 nM None
Homo sapiens KM-20L2 GI50 83.37 nM None
Homo sapiens L02 IC50 10230.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens L02 IC50 12830.0 nM 10.1039/C7MD00105C
Homo sapiens L02 IC50 20400.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens LoVo IC50 330.0 nM 10.1016/j.ejmech.2020.112528
Homo sapiens LOX IMVI GI50 33.73 nM None
Homo sapiens LXFL 529 GI50 150.31 nM None
Homo sapiens M14 GI50 33.57 nM None
Homo sapiens M19-MEL GI50 51.29 nM None
Homo sapiens Malme-3M GI50 49.77 nM None
Homo sapiens MCF7 GI50 7.499 nM None
Homo sapiens MCF7 IC50 2400.0 nM 10.1016/j.ejmech.2016.10.068
Homo sapiens MCF7 IC50 2800.0 nM 10.1016/j.ejmech.2017.04.040
Homo sapiens MCF7 IC50 3580.0 nM 10.1016/j.bmcl.2018.12.059
Homo sapiens MCF7 IC50 19120.0 nM 10.1021/np060091z
Homo sapiens MCF7 IC50 48200.0 nM 10.1016/j.ejmech.2015.04.006
Homo sapiens MCF7 IC50 48200.0 nM 10.1016/j.ejmech.2015.08.004
Homo sapiens MDA-MB-231 GI50 866.96 nM None
Homo sapiens MDA-MB-231 IC50 60.0 nM 10.1016/j.bmcl.2013.03.037
Homo sapiens MDA-MB-435 GI50 45.29 nM None
Homo sapiens MDA-N GI50 141.58 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 22387.2 nM None
Homo sapiens MG-63 IC50 10690.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens MGC-803 Activity 1.2 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 1.3 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 1.8 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 1.8 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 2.0 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 2.1 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 3.0 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 3.5 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 3.8 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 4.7 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 5.8 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 6.0 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 7.3 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 7.6 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 8.6 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 9.1 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 17.37 % 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 Activity 18.6 % 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity 18.66 % 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 Activity 24.5 % 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity 24.95 % 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 Activity nan None 10.1007/s00044-013-0854-3
Homo sapiens MGC-803 Activity nan None 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 Activity nan None 10.1016/j.ejmech.2014.07.053
Homo sapiens MGC-803 Activity nan None 10.1016/j.ejmech.2015.04.006
Homo sapiens MGC-803 Activity nan None 10.1016/j.ejmech.2015.08.004
Homo sapiens MGC-803 GI 29.1 % 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 IC50 6550.0 nM 10.1016/j.bmcl.2018.06.024
Homo sapiens MGC-803 IC50 6550.0 nM 10.1039/C7MD00105C
Homo sapiens MGC-803 IC50 9710.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens MGC-803 IC50 15190.0 nM 10.1021/acs.jmedchem.6b01769
Homo sapiens MGC-803 IC50 20000.0 nM 10.1016/j.ejmech.2012.08.048
Homo sapiens MGC-803 IC50 29100.0 nM 10.1016/j.ejmech.2015.04.006
Homo sapiens MGC-803 IC50 29100.0 nM 10.1016/j.ejmech.2015.08.004
Homo sapiens MOLT-4 GI50 9.441 nM None
Homo sapiens NCI/ADR-RES GI50 23.17 nM None
Homo sapiens NCI-H1975 IC50 nan None 10.1016/j.ejmech.2020.112528
Homo sapiens NCI-H226 GI50 13.4 nM None
Homo sapiens NCI-H23 GI50 17.58 nM None
Homo sapiens NCI-H322M GI50 106.91 nM None
Homo sapiens NCI-H460 GI50 13.93 nM None
Homo sapiens NCI-H460 IC50 4910.0 nM 10.1021/acs.jmedchem.6b01769
Homo sapiens NCI-H460 IC50 10080.0 nM 10.1016/j.bmcl.2018.10.025
Homo sapiens NCI-H460 IC50 16590.0 nM 10.1039/C7MD00105C
Homo sapiens NCI-H460 IC50 38550.0 nM 10.1021/np060091z
Homo sapiens NCI-H522 GI50 10.54 nM None
Homo sapiens OVCAR-3 GI50 45.71 nM None
Homo sapiens OVCAR-4 GI50 92.04 nM None
Homo sapiens OVCAR-5 GI50 46.99 nM None
Homo sapiens OVCAR-8 GI50 14.16 nM None
Homo sapiens PC-3 Activity 5.7 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 7.4 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 8.3 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 11.9 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 12.8 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 17.0 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 19.8 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity 38.2 % 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 Activity nan None 10.1007/s00044-013-0854-3
Homo sapiens PC-3 Activity nan None 10.1016/j.ejmech.2013.05.043
Homo sapiens PC-3 GI 17.1 % 10.1039/C1MD00038A
Homo sapiens PC-3 GI 37.0 % 10.1039/C1MD00038A
Homo sapiens PC-3 GI50 83.95 nM None
Homo sapiens PC-3 IC50 78.0 nM 10.1016/j.bmcl.2012.07.061
Homo sapiens PC-3 IC50 34500.0 nM 10.1016/j.ejmech.2015.08.004
Homo sapiens Raji IC50 nan None 10.1016/j.ejmech.2020.112528
Homo sapiens RPMI-8226 GI50 156.31 nM None
Homo sapiens RXF 393 GI50 23.6 nM None
Homo sapiens RXF 631 GI50 23.12 nM None
Homo sapiens Serum albumin Activity 1.7 None 10.1021/jm00027a005
Homo sapiens Serum albumin K 130.0 1/Maa 10.1021/jm00027a005
Homo sapiens Serum albumin K 260.0 1/Maa 10.1021/jm00027a005
Homo sapiens SF-268 GI50 16.41 nM None
Homo sapiens SF-268 IC50 29880.0 nM 10.1021/np060091z
Homo sapiens SF-295 GI50 18.41 nM None
Homo sapiens SF-539 GI50 8.26 nM None
Homo sapiens SK-MEL-2 GI50 473.15 nM None
Homo sapiens SK-MEL-28 GI50 118.3 nM None
Homo sapiens SK-MEL-5 GI50 27.61 nM None
Homo sapiens SK-OV-3 GI50 22.7 nM None
Homo sapiens SMMC-7721 IC50 140.0 nM 10.1021/np900255h
Homo sapiens SN12C GI50 12.85 nM None
Homo sapiens SN12K1 GI50 10.0 nM None
Homo sapiens SNB-19 GI50 8.414 nM None
Homo sapiens SNB-75 GI50 14.0 nM None
Homo sapiens SNB-78 GI50 247.74 nM None
Homo sapiens SR GI50 10.0 nM None
Homo sapiens Survival motor neuron protein Potency 50.1 nM None
Homo sapiens SW-620 GI50 24.6 nM None
Homo sapiens T-24 IC50 5530.0 nM 10.1021/acs.jmedchem.6b01769
Homo sapiens T-24 IC50 11830.0 nM 10.1016/j.bmcl.2018.06.024
Homo sapiens T-24 IC50 11830.0 nM 10.1039/C7MD00105C
Homo sapiens T47D GI50 10.0 nM None
Homo sapiens TK-10 GI50 2685.34 nM None
Homo sapiens Tumor Cell line GI50 36.0 nM 10.1021/jm000144o
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 58.0 nM None
Homo sapiens U-251 GI50 7.499 nM None
Homo sapiens U-937 IC50 110.0 nM 10.1021/np900814s
Homo sapiens UACC-257 GI50 41.21 nM None
Homo sapiens UACC-62 GI50 7.499 nM None
Homo sapiens UO-31 GI50 23.44 nM None
Homo sapiens XF498 GI50 26.24 nM None
Mus musculus B16-F10 Activity 60.0 % 10.1016/j.ejmech.2020.112670
Mus musculus L1210 IC50 18.0 nM 10.1021/jm00105a017
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2016.06.054
Mus musculus Mus musculus ILS 78.0 % 10.1021/jm00105a017
Mus musculus Mus musculus Inhibition 36.5 % 10.1016/s0960-894x(02)00926-5
Mus musculus Mus musculus MTD 21.0 uM kg-1 10.1021/jm00105a017
Mus musculus Mus musculus T/C 314.0 % 10.1021/jm00179a016
Mus musculus NIH3T3 GI 9.3 % 10.1016/j.ejmech.2012.08.048
Mus musculus Nuclear receptor ROR-gamma Potency 1584.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7079.5 nM None
Mus musculus P338 Active dose range 0.4 mg kg-1 10.1021/jm00161a035
Mus musculus P338 No. of cures 0.0 None 10.1021/jm00161a035
Mus musculus P338 T/C 297.0 % 10.1021/jm00161a035
Mus musculus P338 Toxic dose 6.25 mg kg-1 10.1021/jm00161a035
Mus musculus P388 DOSE 4.0 mg.kg-1 10.1021/jm00179a016
Mus musculus P388 DOSE 8.0 mg.kg-1 10.1021/jm00179a016
Mus musculus P388 Dose range 8.0 mg kg-1 10.1021/jm00179a016
Mus musculus P388 GI50 20.32 nM None
Mus musculus P388 IC50 12.0 nM 10.1016/s0960-894x(02)00926-5
Mus musculus P388/ADR GI50 30.41 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 10000.0 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -10.86 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -9.33 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.16 % 10.6019/CHEMBL4495565
None ADMET T1/2 0.3517 hr 10.1021/jm00027a005
None ADMET T1/2 0.3683 hr 10.1021/jm00027a005
None ADMET T free 4.0 ns 10.1021/jm00027a005
None ADMET Therapeutic index 8.0 None 10.1021/jm00179a016
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2015.04.006
None NON-PROTEIN TARGET ED50 0.02 ug ml-1 10.1021/jm00179a016
None NON-PROTEIN TARGET GI 7.3 % 10.1039/C1MD00038A
None NON-PROTEIN TARGET GI 26.5 % 10.1039/C1MD00038A
None NON-PROTEIN TARGET IC50 6.9 nM 10.1021/jm701151c
None NON-PROTEIN TARGET IC50 181.0 nM 10.1016/j.bmc.2014.11.020
None NON-PROTEIN TARGET IC50 230.0 nM 10.1016/j.ejmech.2011.04.059
None NON-PROTEIN TARGET IC50 370.0 nM 10.1016/j.ejmech.2009.04.016
None NON-PROTEIN TARGET IC50 496.0 nM 10.1016/j.bmcl.2011.02.080
None NON-PROTEIN TARGET IC50 835.0 nM 10.1016/j.bmc.2014.11.020
None NON-PROTEIN TARGET IC50 1040.0 nM 10.1016/j.ejmech.2011.04.059
None NON-PROTEIN TARGET IC50 1090.0 nM 10.1016/j.ejmech.2009.04.016
None NON-PROTEIN TARGET IC50 6490.0 nM 10.1021/np060091z
None NON-PROTEIN TARGET IC50 21300.0 nM 10.1021/np300412h
None NON-PROTEIN TARGET IC50 34500.0 nM 10.1016/j.ejmech.2015.04.006
None NON-PROTEIN TARGET IC50 58620.0 nM 10.1016/j.bmcl.2015.12.014
None NON-PROTEIN TARGET T/C 20.0 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 21.68 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 23.92 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 27.97 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 29.44 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 54.55 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 68.37 % 10.1016/j.ejmech.2016.06.054
None NON-PROTEIN TARGET T/C 91.99 % 10.1016/j.ejmech.2016.06.054
None No relevant target Solubility 0.94 ug.mL-1 10.1016/j.bmcl.2018.12.059
None No relevant target Solubility 13700.0 nM 10.1021/jm701151c
None No relevant target Solubility 137000.0 nM 10.1021/jm701151c
None Unchecked IC50 12630.0 nM 10.1039/C7MD00105C
None Unchecked Inhibition nan % 10.1016/j.ejmech.2015.07.048
None Unchecked Potency 112.2 nM None
None Unchecked Potency 251.2 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 15848.9 nM None

Metabolism Information