U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H48FN5O5S
Molecular Weight 669.85
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPC-681

SMILES

CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)N([C@H](C(N)=O)C(C)(C)C)C(=O)CNCC2=CC=CC(F)=C2)S(=O)(=O)C3=CC=CC(N)=C3

InChI

InChIKey=VAXRCFUMOHKDCQ-RKKDRKJOSA-N
InChI=1S/C35H48FN5O5S/c1-24(2)22-40(47(45,46)29-16-10-15-28(37)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(33(34(38)44)35(3,4)5)32(43)21-39-20-26-13-9-14-27(36)17-26/h6-17,19,24,30-31,33,39,42H,18,20-23,37H2,1-5H3,(H2,38,44)/t30-,31+,33+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
DPC-681
Code English
DPC681
Code English
N-((3-FLUOROPHENYL)METHYL)GLYCYL-N-((1S,2R)-3-(((3-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-METHYL-L-VALINAMIDE
Systematic Name English
DPH-153893
Code English
(2S)-N-((1S,2R)-3-((3-AMINOPHENYL)SULFONYL-ISOBUTYL-AMINO)-1-BENZYL-2-HYDROXY-PROPYL)-2-((2-((3-FLUOROPHENYL)METHYLAMINO)ACETYL)AMINO)-3,3-DIMETHYL-BUTANAMIDE
Systematic Name English
L-VALINAMIDE, N-((3-FLUOROPHENYL)METHYL)GLYCYL-N-((1S,2R)-3-(((3-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
KV8K47D5MM
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
PUBCHEM
3083536
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID00951109
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
DPH-153893
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY DPC-681 is a potent and selective inhibitor of HIV protease with IC90s for wild-type HIV-1 of 4 to 40 nM.
CAS
367281-49-0
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
SUPERSEDED
CAS
284661-68-3
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
DPC-681
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY