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Compound Detail

CHEMBL3120793

GS-6620
Phase I
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Phase I
CC(C)OC(=O)[C@H](C)N[P@+]([O-])(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3120793
Name GS-6620
Phase Phase I
Structure Type MOL
InChI Key YAAQYJCOIFNMKX-RSTNYOGXSA-N
Active Moiety CHEMBL4067160

Known Names

Gs-6620
2
Targets
12
Activities
1
Assay Types
0
PK Parameters
10
Publications
1
Known Names
1
Indications

Molecular Properties

644.6
MW (Da)
1.81
ALogP
15
HBA
3
HBD
215.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Prodrug

Extended Properties

Molecular Formula C29H37N6O9P
MW 644.62
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 0.04

Indications

Hepatitis C, Chronic

Activity Summary

EC50 12 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 7.17 7.0473 68.0 11
Ebolavirus
CHEMBL4434621
 EC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 2a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 6a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 5a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 4a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 3a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 2b 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 1a 23547794
Hepatitis C virus EC50 = 68.0 nM 7.17 Antiviral activity against HCV genotype 1b 23547794
Hepatitis C virus EC50 = 94.0 nM 7.03 Antiviral activity against HCV1a assessed as inhibition of viral replication by ... 24907145
Hepatitis C virus EC50 = 240.0 nM 6.62 Antiviral activity against HCV1b assessed as inhibition of viral replication by ... 24907145
Hepatitis C virus EC50 = 310.0 nM 6.51 Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH7 ... 28124907
Ebolavirus EC50 = 40000.0 nM 4.4 Antiviral activity against GFP-fused Ebolavirus infected in TERT-immortalized HM... 28124907

Literature References

PubMed DOI Target Context # Activities
23547794 10.1021/jm400201a Hepatitis C virus 15
24907145 10.1016/j.bmcl.2014.05.015 Hepatitis C virus 3
28124907 10.1021/acs.jmedchem.6b01594 Ebolavirus 2
23547794 10.1021/jm400201a ADMET 1
23547794 10.1021/jm400201a Homo sapiens 1
28124907 10.1021/acs.jmedchem.6b01594 Human orthopneumovirus 1
28124907 10.1021/acs.jmedchem.6b01594 Hepatitis C virus 1
28124907 10.1021/acs.jmedchem.6b01594 HEp-2 1
28124907 10.1021/acs.jmedchem.6b01594 Huh-7 1
28124907 10.1021/acs.jmedchem.6b01594 MT4 1

Data from ChEMBL 36 via Core Engine