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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35FN6O5S
Molecular Weight 598.689
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Linvencorvir

SMILES

[H][C@]12CN(CC(C)(C)C(O)=O)C(=O)N1CCN(CC3=C([C@@H](N=C(N3)C4=NC=CS4)C5=CC=CC(F)=C5C)C(=O)OCC)C2

InChI

InChIKey=YLJBFYZGSKMBEZ-MBSDFSHPSA-N
InChI=1S/C29H35FN6O5S/c1-5-41-26(37)22-21(15-34-10-11-36-18(13-34)14-35(28(36)40)16-29(3,4)27(38)39)32-24(25-31-9-12-42-25)33-23(22)19-7-6-8-20(30)17(19)2/h6-9,12,18,23H,5,10-11,13-16H2,1-4H3,(H,32,33)(H,38,39)/t18-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35FN6O5S
Molecular Weight 598.689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:13:25 UTC 2023
Edited
by admin
on Sat Dec 16 14:13:25 UTC 2023
Record UNII
74UDO8415O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Linvencorvir
INN   USAN  
Official Name English
RO7049389
Code English
linvencorvir [INN]
Common Name English
3-[(8aS)-7-{[(6S)-5-(ethoxycarbonyl)-6-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,6-dihydropyrimidin-4-yl]methyl}-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-2,2-dimethylpropanoic acid
Systematic Name English
RG7907
Code English
LINVENCORVIR [USAN]
Common Name English
RO-7049389
Code English
Imidazo[1,5-a]pyrazine-2(3H)-propanoic acid, 7-[[(6S)-5-(ethoxycarbonyl)-6-(3-fluoro-2-methylphenyl)-3,6-dihydro-2-(2-thiazolyl)-4-pyrimidinyl]methyl]hexahydro-α,α-dimethyl-3-oxo-, (8aS)-
Systematic Name English
RG-7907
Code English
Code System Code Type Description
CAS
1808248-05-6
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
PUBCHEM
118354396
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
NCI_THESAURUS
C188526
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
INN
12085
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
FDA UNII
74UDO8415O
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
USAN
KL-212
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
SMS_ID
300000031573
Created by admin on Sat Dec 16 14:13:25 UTC 2023 , Edited by admin on Sat Dec 16 14:13:25 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
Does not induce CYP3A4 activity.
TARGET ORGANISM->INHIBITOR
TARGET->INHIBITOR OF AGGREGATION
Inhibits multiple activities of core protein.
ALLOSTERIC INHIBITOR
Related Record Type Details
ACTIVE MOIETY