Drug Information

Drug General Information
Drug ID
D0N3ZY
Former ID
DIB005737
Drug Name
DPC-681
Synonyms
N-(3-Fluorobenzyl)glycyl-N-[3-[N-(3-aminophenylsulfonyl)-N-isobutylamino]-1(S)-benzyl-2(R)-hydroxypropyl]-3-methyl-L-valinamide mesylate
Drug Type
Small molecular drug
Indication Human immunodeficiency virus infection [ICD9: 279.3; ICD10:B20-B26] Discontinued in Phase 1 [547252]
Structure
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2D MOL

3D MOL
Formula
C35H48FN5O5S
Canonical SMILES
CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=<br />O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N
InChI
1S/C35H48FN5O5S/c1-24(2)21-40(47(45,46)29-16-10-15-28(38)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(22-26-13-9-14-27(36)17-26)33(35(3,4)5)34(44)39-32(43)20-37/h6-17,19,24,30-31,33,42H,18,20-23,37-38H2,1-5H3,(H,39,43,44)/t30-,31?,33-/m0/s1
InChIKey
BHPRDABYBCABNU-NCNGZOBXSA-N
PubChem Compound ID
3083536
PubChem Substance ID
36413912, 76444865, 111687848, 135230361
Target and Pathway
Target(s) HIV protease Target Info Inhibitor [526167], [551871]
References
Ref 547252Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014480)
Ref 526167DPC 681 and DPC 684: potent, selective inhibitors of human immunodeficiency virus protease active against clinically relevant mutant variants. Antimicrob Agents Chemother. 2001 Nov;45(11):3021-8.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

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