Details of the Drug

General Information of Drug (ID: DMSRC5D)

Drug Name
IDX899
Synonyms
Fosdevirine; IDX-899; IDX899; GSK2248761; GSK-2248761; 1018450-26-4; UNII-Z4I0C281BJ; Z4I0C281BJ; Fosdevirine [USAN:INN]; GSK2248761A; GSK 2248761A; Fosdevirine (USAN/INN); SCHEMBL1035677; CHEMBL2104968; IDX 899; 1097733-15-7; IDX-12899; GSK 2248761; D09906
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 413.8
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H17ClN3O3P
IUPAC Name
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
Canonical SMILES
CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC)/C=C/C#N
InChI
InChI=1S/C20H17ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h3-6,8-11,24H,1-2H3,(H2,23,25)/b4-3+
InChIKey
CGBYTKOSZYQOPV-ONEGZZNKSA-N
Cross-matching ID
PubChem CID
23583058
UNII
Z4I0C281BJ
DrugBank ID
DB06166
TTD ID
D02SPX
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
Human immunodeficiency virus Reverse transcriptase (HIV RT) TT84ETX POL_HV1B1 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 800027243)
2 Unexpected finding of delayed-onset seizures in HIV-positive, treatment-experienced subjects in the Phase IIb evaluation of fosdevirine (GSK2248761).Antivir Ther.2014;19(1):69-78.