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]
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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
CAS Number: 1251165-81-7
TTD ID: D09VTB

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)

MIA Detail

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.