JD-5037

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27Cl2N5O3S
Molecular Weight	572.506
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](N\C(=N/S(=O)(=O)C1=CC=C(Cl)C=C1)N2C[C@@H](C(=N2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4)C(N)=O

InChI

InChIKey=GTCSIQFTNPTSLO-RPWUZVMVSA-N

InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H27Cl2N5O3S
Molecular Weight	572.506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cannabinoid CB1 receptor 85 Target ID: CHEMBL218 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22841573	Inverse Agonist 80		0.35 nM [Ki]

PubMed

Title	Date	PubMed
Amplitude-selective filtering for remote-PPG.	2017 Mar 1	28663876
Preclinical toxicity evaluation of JD5037, a peripherally restricted CB(1) receptor inverse agonist, in rats and dogs for treatment of nonalcoholic steatohepatitis.	2019 Dec	31580887

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:05:32 GMT 2023` Edited by `admin` on `Sat Dec 16 14:05:32 GMT 2023`
Record UNII	ENZ75DG2Z6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JD-5037

Common Name

English

CRB-4001

Common Name

English

BUTANAMIDE, 2-((((4S)-3-(4-CHLOROPHENYL)-4,5-DIHYDRO-4-PHENYL-1H-PYRAZOL-1-YL)(((4-CHLOROPHENYL)SULFONYL)AMINO)METHYLENE)AMINO)-3-METHYL-, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

ENZ75DG2Z6

Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023

PRIMARY

CAS

1392116-14-1

Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023

PRIMARY

PUBCHEM

66553204

Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023

PRIMARY

EPA CompTox

DTXSID301030409

Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023

PRIMARY

Related Record Type Details


					NJ1Q2Q7LO5

CANNABINOID RECEPTOR 1

TARGET->INVERSE AGONIST


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Comments:

at 10 μM 80% inhibition

Qualification:

IC50

Amount: