Details of the Drug

General Information of Drug (ID: DM7U458)

Drug Name
IDX-184
Synonyms
B-102; B-184; B-299; IDX-102; Next-generation nucleotide polymerase inhibitors (HCV infection), Idenix; Next-generation nucleotide polymerase inhibitors (hepatitis C virus infection), Idenix; 2'-methyl guanosine prodrug (hepatitis C virus infection), Idenix
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 626.6
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 13
Chemical Identifiers
Formula
C25H35N6O9PS
IUPAC Name
S-[2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
Canonical SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O
InChI
InChI=1S/C25H35N6O9PS/c1-24(2,13-32)22(35)42-10-9-38-41(37,28-11-15-7-5-4-6-8-15)39-12-16-18(33)25(3,36)21(40-16)31-14-27-17-19(31)29-23(26)30-20(17)34/h4-8,14,16,18,21,32-33,36H,9-13H2,1-3H3,(H,28,37)(H3,26,29,30,34)/t16-,18-,21-,25-,41?/m1/s1
InChIKey
FGHMGRXAHIXTBM-TWFJNEQDSA-N
Cross-matching ID
PubChem CID
135565589
CAS Number
1036915-08-8
TTD ID
D0SY7H

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatitis C virus Non-structural 5 (HCV NS5) TTE3PC9 NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00807001) Double-Blind, Dose-Escalation Study of IDX184 in Chronic Hepatitis C Treatment-Naive Subjects. U.S. National Institutes of Health.
2 Genotype and Subtype Profiling of PSI-7977 as a Nucleotide Inhibitor of Hepatitis C Virus. Antimicrob Agents Chemother. 2012 June; 56(6): 3359-3368.