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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27FN2O2
Molecular Weight 418.5032
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATICAPRANT

SMILES

CC1=CC(=CC(C)=C1)[C@@H]2CCCN2CC3=CC=C(OC4=C(F)C=C(C=C4)C(N)=O)C=C3

InChI

InChIKey=ZHPMYDSXGRRERG-DEOSSOPVSA-N
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H27FN2O2
Molecular Weight 418.5032
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 08:50:08 UTC 2023
Edited
by admin
on Sat Dec 16 08:50:08 UTC 2023
Record UNII
DE4G8X55F5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATICAPRANT
INN  
Official Name English
JSPA-0658
Code English
LY-2456302
Code English
aticaprant [INN]
Common Name English
CERC-501
Code English
JSPA0658
Code English
JNJ-67953964
Common Name English
LY2456302
Code English
ATICAPRANT [USAN]
Common Name English
BENZAMIDE, 4-(4-(((2S)-2-(3,5-DIMETHYLPHENYL)-1-PYRROLIDINYL)METHYL)PHENOXY)-3-FLUORO-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
LY-2456302
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
INN
10582
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
SMS_ID
100000183561
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
PUBCHEM
44129648
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
CAS
1174130-61-0
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
DRUG BANK
DB12341
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
NCI_THESAURUS
C170144
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
FDA UNII
DE4G8X55F5
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID90151777
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
USAN
HI-125
Created by admin on Sat Dec 16 08:50:08 UTC 2023 , Edited by admin on Sat Dec 16 08:50:08 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
Ki
Related Record Type Details
ACTIVE MOIETY