Details of the Drug

General Information of Drug (ID: DMAYLS3)

Drug Name
IDX-320
Synonyms Hepatitis C virus NS3/4A protease inhibitor (oral/tablet formulation), Idenix Pharmaceuticals; Hepatitis C virus replication inhibitor (oral/tablet formulation, HCV infection), Idenix Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Discontinued in Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 804.9
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 13
Chemical Identifiers
Formula
C37H43F3N6O7S2
IUPAC Name
(1S,4R,6S,7E,18S)-18-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13,15-triazatricyclo[13.4.0.04,6]nonadec-7-ene-4-carboxamide
Canonical SMILES
CC1=C(C=CC2=C1N=C(C=C2O[C@H]3CCN4[C@@H](C3)C(=O)N[C@@]5(C[C@H]5/C=C/CCCCN(C4=O)C)C(=O)NS(=O)(=O)C6(CC6)C)C7=NC(=CS7)C(F)(F)F)OC
InChI
InChI=1S/C37H43F3N6O7S2/c1-21-27(52-4)11-10-24-28(18-25(41-30(21)24)32-42-29(20-54-32)37(38,39)40)53-23-12-16-46-26(17-23)31(47)43-36(33(48)44-55(50,51)35(2)13-14-35)19-22(36)9-7-5-6-8-15-45(3)34(46)49/h7,9-11,18,20,22-23,26H,5-6,8,12-17,19H2,1-4H3,(H,43,47)(H,44,48)/b9-7+/t22-,23+,26+,36-/m1/s1
InChIKey
YEPBUHWNLNKZBW-FDVAVYTKSA-N
Cross-matching ID
PubChem CID
71768520
ChEBI ID
CHEMBL3634394
CAS Number
1251165-81-7
TTD ID
D09VTB
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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 800031987)
2 Rapid decline of viral RNA in chronic hepatitis C patients treated once daily with IDX320: a novel macrocyclic HCV protease inhibitor.Antivir Ther.2012;17(4):633-42.