GW-833972A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13ClF3N5O.ClH
Molecular Weight	444.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.FC(F)(F)C1=NC(NC2=CC=CC(Cl)=C2)=NC=C1C(=O)NCC3=CC=NC=C3

InChI

InChIKey=UBHSVFAUAKIVKL-UHFFFAOYSA-N

InChI=1S/C18H13ClF3N5O.ClH/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11;/h1-8,10H,9H2,(H,24,28)(H,25,26,27);1H

HIDE SMILES / InChI

Molecular Formula	C18H13ClF3N5O
Molecular Weight	407.777
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 CB2 receptor 71 Target ID: CHEMBL253 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18695648	Agonist 2678		7.3 null [pEC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:00:29 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:29 GMT 2023`
Record UNII	S22C7PYU3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GW-833972A

Code

English

GW 833972A HYDROCHLORIDE

Common Name

English

2-((3-CHLOROPHENYL)AMINO)-N-(4-PYRIDYLMETHYL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXAMIDE HYDROCHLORIDE

Systematic Name

English

5-PYRIMIDINECARBOXAMIDE, 2-((3-CHLOROPHENYL)AMINO)-N-(4-PYRIDINYLMETHYL)-4-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

GW833972A

Common Name

English

Code System Code Type Description

CAS

1092502-33-4

Created by admin on Sat Dec 16 10:00:29 GMT 2023 , Edited by admin on Sat Dec 16 10:00:29 GMT 2023

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FDA UNII

S22C7PYU3Z

Created by admin on Sat Dec 16 10:00:29 GMT 2023 , Edited by admin on Sat Dec 16 10:00:29 GMT 2023

PRIMARY

EPA CompTox

DTXSID80746696

Created by admin on Sat Dec 16 10:00:29 GMT 2023 , Edited by admin on Sat Dec 16 10:00:29 GMT 2023

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PUBCHEM

71312007

Created by admin on Sat Dec 16 10:00:29 GMT 2023 , Edited by admin on Sat Dec 16 10:00:29 GMT 2023

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