GPCRdb

CHEMBL212458

Agent/drug
Bioactivity

CHEMBL212458

SMILES	COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1
InChIKey	GTRCYAYRRCMTDF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	515.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Bovine	Adenosine	A	pKi	6.76	6.76	6.76	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	5.18	5.18	5.18	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.48	8.48	8.48	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Human	Adenosine	A	pIC50	7.50	7.50	7.50	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL212458

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

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.