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]
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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

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]

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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 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.