GPCRdb

CHEMBL164992

Agent/drug
Bioactivity

CHEMBL164992

SMILES	COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1
InChIKey	AQNRHHRYYOZUOC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	404.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pKi	6.30	6.30	6.30	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.80	6.80	6.80	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	6.60	6.60	6.60	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.10	8.60	9.10	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Human	Adenosine	A	pIC50	8.11	8.11	8.11	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL164992

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.