ATICAPRANT

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 Search

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24854795 | https://www.ncbi.nlm.nih.gov/pubmed/24071566 | https://www.ncbi.nlm.nih.gov/pubmed/31051197

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.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Kappa-type opioid receptor 60 Target ID: P41145 Gene ID: 4986.0 Gene Symbol: OPRK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24854795	Antagonist 2778		0.18 nM [Ki]

PubMed

Title	Date	PubMed
Preclinical evaluation of the kappa-opioid receptor antagonist CERC-501 as a candidate therapeutic for alcohol use disorders.	2018 Aug	29463912
Targeting opioid dysregulation in depression for the development of novel therapeutics.	2019 Sep	31051197

Patents

Sample Use Guides

In Vivo Use Guide

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 UTC 2023` Edited by `admin` on `Sat Dec 16 08:50:08 UTC 2023`
Record UNII	DE4G8X55F5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATICAPRANT

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