Details of the Drug

General Information of Drug (ID: DMYR7LO)

Drug Name
GPG
Synonyms AlfaHGA
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Discontinued in Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 624.5
Logarithm of the Partition Coefficient (xlogp) -5.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 9
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C22H29N10O10P
IUPAC Name
[(1R,2R,3S,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl [(1R,2S,3R,5R)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl] hydrogen phosphate
Canonical SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=C(NC3=O)N)O)OP(=O)(O)OC[C@H]4C[C@H]([C@@H]([C@@H]4O)O)N5C=NC6=C5N=C(NC6=O)N)CO
InChI
InChI=1S/C22H29N10O10P/c23-21-27-17-11(19(37)29-21)25-5-31(17)9-2-8(13(34)14(9)35)4-41-43(39,40)42-16-7(3-33)1-10(15(16)36)32-6-26-12-18(32)28-22(24)30-20(12)38/h5-10,13-16,33-36H,1-4H2,(H,39,40)(H3,23,27,29,37)(H3,24,28,30,38)/t7-,8-,9-,10-,13-,14+,15+,16-/m1/s1
InChIKey
WGYAYVXBDYHRBW-QPVXRGBGSA-N
Cross-matching ID
PubChem CID
145459100
ChEBI ID
CHEBI:165826
TTD ID
D0A9JW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Envelope glycoprotein gp160 (HIV env) TTEC2T3 ENV_HV1H2 Inhibitor [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 800021646)
2 GPG-NH2 acts via the metabolite alphaHGA to target HIV-1 Env to the ER-associated protein degradation pathway. Retrovirology 2010, 7:20.