LY-2955303

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H42N4O3
Molecular Weight	578.7437
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3N=C(C=C3C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=CC=C(C=C5)C(O)=O

InChI

InChIKey=YVXYHNKIOFSFMZ-UHFFFAOYSA-N

InChI=1S/C36H42N4O3/c1-35(2,3)28-20-27(21-29(22-28)36(4,5)6)32-23-31(24-8-10-26(11-9-24)34(42)43)37-40(32)30-14-12-25(13-15-30)33(41)39-18-16-38(7)17-19-39/h8-15,20-23H,16-19H2,1-7H3,(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C36H42N4O3
Molecular Weight	578.7437
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Retinoic acid receptor gamma 18 Target ID: P13631\|\|\|Q9BYX8 Gene ID: 5916.0 Gene Symbol: RARG Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27261179	Inhibitor 8297		1.1 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:05:56 GMT 2023` Edited by `admin` on `Sat Dec 16 08:05:56 GMT 2023`
Record UNII	EGR6ZG7M0Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-2955303

Code

English

BENZOIC ACID, 4-(5-(3,5-BIS(1,1-DIMETHYLETHYL)PHENYL)-1-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)-1H-PYRAZOL-3-YL)-

Systematic Name

English

LY2955303

Code

English

4-(5-(3,5-DI-TERT-BUTYLPHENYL)-1-(4-((4-METHYLPIPERAZIN-1-YL)CARBONYL) PHENYL)-1H-PYRAZOL-3-YL)BENZOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

EGR6ZG7M0Z

Created by admin on Sat Dec 16 08:05:56 GMT 2023 , Edited by admin on Sat Dec 16 08:05:56 GMT 2023

PRIMARY

PUBCHEM

71552369

Created by admin on Sat Dec 16 08:05:56 GMT 2023 , Edited by admin on Sat Dec 16 08:05:56 GMT 2023

PRIMARY

CAS

1433497-19-8

Created by admin on Sat Dec 16 08:05:56 GMT 2023 , Edited by admin on Sat Dec 16 08:05:56 GMT 2023

PRIMARY

Related Record Type Details


					EGR6ZG7M0Z

LY-2955303

ACTIVE MOIETY