Details of the Drug

General Information of Drug (ID: DMXB4T9)

Drug Name

GS-9132

Synonyms

ACH-806; HCV replication inhibitors, Achillion/Gilead Sciences; Hepatitis C virus replication inhibitors, Achillion/Gilead

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Discontinued in Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

411.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C19H20F3N3O2S
IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide
Canonical SMILES: CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)C(F)(F)F
InChI: InChI=1S/C19H20F3N3O2S/c1-2-3-4-10-27-16-8-7-14(11-15(16)19(20,21)22)24-18(28)25-17(26)13-6-5-9-23-12-13/h5-9,11-12H,2-4,10H2,1H3,(H2,24,25,26,28)
InChIKey: WJSGOXONRXFGRY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Serine protease NS4A (HCV NS4A)	TTRHUKY	POLG_HCV1	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800022995)
2	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.