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

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H56F2N6O8S2
Molecular Weight 911.088
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELDEPREVIR

SMILES

[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@@H](CC(=O)N4CCCC(F)(F)C4)CCCCCC=C2)OC5=CC(=NC6=C(C)C(OC)=CC=C56)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8CC8

InChI

InChIKey=UDMJANYPQWEDFT-ZAWFUYGJSA-N
InChI=1S/C45H56F2N6O8S2/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H,50,55)(H,51,57)/b12-9-/t28-,29-,30-,35+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H56F2N6O8S2
Molecular Weight 911.088
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Deldeprevir (Neceprevir) is a direct-acting anti-HCV drug developed by Achillion. Deldeprevir acts by inhibition of the viral NS3/4A protease. In phase 1b clinical trial for the treatment of chronic HCV infection, the drug was safe and well-tolerated and produced more than a 3 log10 mean maximum reduction in plasma HCV RNA levels in all treated groups. Despite positive results, no development of the drug was reported by Achillion since 2014.

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:10:30 GMT 2023
Edited
by admin
on Sat Dec 16 02:10:30 GMT 2023
Record UNII
5ZT4SBY0BD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELDEPREVIR
INN   USAN  
USAN   INN  
Official Name English
NECEPREVIR
WHO-DD  
Common Name English
Deldeprevir [WHO-DD]
Common Name English
ACH-0142684
Code English
ACH-2684
Code English
DELDEPREVIR [USAN]
Common Name English
deldeprevir [INN]
Common Name English
Code System Code Type Description
SMS_ID
300000034165
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
ChEMBL
CHEMBL3040582
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
PUBCHEM
56935739
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
CAS
1229626-28-1
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
USAN
YY-152
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
NCI_THESAURUS
C166876
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
FDA UNII
5ZT4SBY0BD
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
INN
9600
Created by admin on Sat Dec 16 02:10:30 GMT 2023 , Edited by admin on Sat Dec 16 02:10:30 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY