GPCRdb

CHEMBL4747947

Agent/drug
Bioactivity

CHEMBL4747947

SMILES	O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1
InChIKey	OTAAAJWYDQOTRS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	524.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Rat	Adenosine	A	pKi	6.22	6.22	6.22	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	7.32	7.32	7.32	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Rat	Adenosine	A	pEC50	5.76	7.10	8.28	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4747947

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.