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

Topological Polar Surface Area (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

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]

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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.
3	A phase I double blind, placebo-controlled, randomized study of a multigenic HIV-1 adenovirus subtype 35 vector vaccine in healthy uninfected adults. PLoS One. 2012;7(8):e41936.
4	A Phase 1 study to evaluate the safety and immunogenicity of a recombinant HIV type 1 subtype C-modified vaccinia Ankara virus vaccine candidate in Indian volunteers. AIDS Res Hum Retroviruses. 2009 Nov;25(11):1107-16.
5	Clinical pipeline report, company report or official report of MacroGenics.
6	Company report (Inovio)
7	ClinicalTrials.gov (NCT00695877) Safety and Immune Response to a Recombinant Adenovirus HIV-1 Vaccine in Healthy Adults. U.S. National Institutes of Health.