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

LY-2456302 or CERC-501 (now JNJ-67953964) is a non-peptide, centrally-penetrant, potent, short-acting kappa opioid receptor (KOR)-selective antagonist with pharmacokinetic properties favorable for clinical development and activity in animal models predictive of efficacy in mood and addictive disorders. It is under development for depression and substance abuse disorders.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P41145
Gene ID: 4986.0
Gene Symbol: OPRK1
Target Organism: Homo sapiens (Human)
0.18 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Targeting opioid dysregulation in depression for the development of novel therapeutics.
2019 Sep
Patents

Sample Use Guides

Phase 2 study: Oral dosing of 10 mg CERC-501 daily for 8 weeks
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:08 GMT 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 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
INN
10582
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
SMS_ID
100000183561
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
PUBCHEM
44129648
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
CAS
1174130-61-0
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
DRUG BANK
DB12341
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
NCI_THESAURUS
C170144
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
FDA UNII
DE4G8X55F5
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID90151777
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
USAN
HI-125
Created by admin on Sat Dec 16 08:50:08 GMT 2023 , Edited by admin on Sat Dec 16 08:50:08 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
Ki
Related Record Type Details
ACTIVE MOIETY