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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14F4N4O3S
Molecular Weight 418.366
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERSACAPAVIR

SMILES

C[C@H](NS(=O)(=O)C1=CN(C)C(=C1)C(=O)NC2=CC=C(F)C(=C2)C#N)C(F)(F)F

InChI

InChIKey=SBVBIDUKSBJYEF-VIFPVBQESA-N
InChI=1S/C16H14F4N4O3S/c1-9(16(18,19)20)23-28(26,27)12-6-14(24(2)8-12)15(25)22-11-3-4-13(17)10(5-11)7-21/h3-6,8-9,23H,1-2H3,(H,22,25)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H14F4N4O3S
Molecular Weight 418.366
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:51:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:51:00 GMT 2023
Record UNII
2456KW2166
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERSACAPAVIR
USAN   INN  
Official Name English
Bersacapavir [WHO-DD]
Common Name English
BERSACAPAVIR [USAN]
Common Name English
JNJ-6379
Code English
JNJ-56136379
Code English
1H-PYRROLE-2-CARBOXAMIDE, N-(3-CYANO-4-FLUOROPHENYL)-1-METHYL-4-((((1S)-2,2,2-TRIFLUORO-1-METHYLETHYL)AMINO)SULFONYL)-
Systematic Name English
bersacapavir [INN]
Common Name English
N-(3-CYANO-4-FLUOROPHENYL)-1-METHYL-4-(((2S)-1,1,1-TRIFLUORO-2-PROPANYL)SULFAMOYL)-1HPYRROLE-2-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
INN
11272
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
FDA UNII
2456KW2166
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
SMS_ID
300000024154
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
NCI_THESAURUS
C175058
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
CAS
1638266-40-6
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
USAN
JK-99
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
PUBCHEM
121294984
Created by admin on Sat Dec 16 12:51:01 GMT 2023 , Edited by admin on Sat Dec 16 12:51:01 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Inhibits the incorporation of nucleic acids into the fully formed capsid.
TARGET ORGANISM->INHIBITOR
Median 50% effective concentration (EC50) values across all genotypes were 10–33 nM versus 17 nM (genotype D reference). Prevents nucleic acid incorporation into capsid.
EC50
Related Record Type Details
ACTIVE MOIETY