URB-447

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H21ClN2O
Molecular Weight	400.9
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(=O)C2=CC=CC=C2)C(N)=C(N1CC3=CC=C(Cl)C=C3)C4=CC=CC=C4

InChI

InChIKey=KGXYGMKEFDUWNB-UHFFFAOYSA-N

InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3

HIDE SMILES / InChI

Molecular Formula	C25H21ClN2O
Molecular Weight	400.9
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
Cannabinoid receptor 1 30 Target ID: P20272 Gene ID: 25248.0 Gene Symbol: Cnr1 Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19128970	Antagonist 2778		313.0 nM [IC50]
Cannabinoid receptor 2 27 Target ID: P34972 Gene ID: 1269.0 Gene Symbol: CNR2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19128970	Agonist 2678		41.0 nM [IC50]

PubMed

Title	Date	PubMed
Synthesis and characterization of a peripherally restricted CB1 cannabinoid antagonist, URB447, that reduces feeding and body-weight gain in mice.	2009 Feb 1	19128970
Endocannabinoid signal in the gut controls dietary fat intake.	2011 Aug 2	21730161
Endocannabinoid signaling in the gut mediates preference for dietary unsaturated fats.	2013 Jun	23463697

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:44 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:44 GMT 2023`
Record UNII	3L2XB4VZA6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URB-447

Code

English

(4-AMINO-1-((4-CHLOROPHENYL)METHYL)-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)PHENYLMETHANONE

Common Name

English

URB447

Code

English

METHANONE, (4-AMINO-1-((4-CHLOROPHENYL)METHYL)-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)PHENYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

25195055

Created by admin on Sat Dec 16 18:51:44 GMT 2023 , Edited by admin on Sat Dec 16 18:51:44 GMT 2023

PRIMARY

EPA CompTox

DTXSID80649012

Created by admin on Sat Dec 16 18:51:44 GMT 2023 , Edited by admin on Sat Dec 16 18:51:44 GMT 2023

PRIMARY

CAS

1132922-57-6

Created by admin on Sat Dec 16 18:51:44 GMT 2023 , Edited by admin on Sat Dec 16 18:51:44 GMT 2023

PRIMARY

FDA UNII

3L2XB4VZA6

Created by admin on Sat Dec 16 18:51:44 GMT 2023 , Edited by admin on Sat Dec 16 18:51:44 GMT 2023

PRIMARY

Related Record Type Details


					3L2XB4VZA6

URB-447

ACTIVE MOIETY

Amount: