Details of the Drug

General Information of Drug (ID: DMIVUFL)

Drug Name

ACH-1625

Synonyms

SOVAPREVIR; 1001667-23-7; UNII-2ND9V3MN6O; ACH-0141625; 2ND9V3MN6O; Sovaprevir [USAN:INN]; Sovaprevir (USAN); Prodrug of ACH-1095; SCHEMBL1462843; CHEMBL2105750; DTXSID00142994; DB12069; SB16836; D10166; 2-Pyrrolidinecarboxamide, N-((1R,2S)-1-(((cyclopropylsulfonyl)amino)carbonyl)-2- ethenylcyclopropyl)-1-((2S)-3,3-dimethyl-1-oxo-2-(2-oxo-2-(1-piperidinyl)ethyl)butyl)-4-

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

800

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C43H53N5O8S
IUPAC Name: (2S,4R)-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide
Canonical SMILES: CC(C)(C)[C@H](CC(=O)N1CCCCC1)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7
InChI: InChI=1S/C43H53N5O8S/c1-6-28-25-43(28,41(52)46-57(53,54)31-16-17-31)45-39(50)36-22-30(26-48(36)40(51)33(42(2,3)4)23-38(49)47-19-11-8-12-20-47)56-37-24-34(27-13-9-7-10-14-27)44-35-21-29(55-5)15-18-32(35)37/h6-7,9-10,13-15,18,21,24,28,30-31,33,36H,1,8,11-12,16-17,19-20,22-23,25-26H2,2-5H3,(H,45,50)(H,46,52)/t28-,30-,33-,36+,43-/m1/s1
InChIKey: MHFMTUBUVQZIRE-WINRQGAFSA-N

Cross-matching ID

PubChem CID: 53362096
CAS Number: 1001667-23-7
UNII: 2ND9V3MN6O
DrugBank ID: DB12069
TTD ID: D07ZAH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Protease (HIV PR)	TT5FNQT	POL_HV1B1	Inhibitor	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Achillion (2011).