GPCRdb

CHEMBL203998

Agent/drug
Bioactivity

CHEMBL203998

SMILES	Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1
InChIKey	NQZFCYATTXZYSI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	3
Molecular weight (Da)	391.1

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	6.10	6.10	6.10	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.96	6.96	6.96	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.46	8.46	8.46	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2B	AA2BR	Human	Adenosine	A	pIC50	6.50	6.50	6.50	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL203998

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.