GPCRdb

CHEMBL1181982

Agent/drug
Bioactivity

CHEMBL1181982

SMILES	Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1
InChIKey	JLPJCDMYSOLSKQ-UHFFFAOYSA-O

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	3
Molecular weight (Da)	390.1

Database connections

ChEMBL_compound_ids 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	6.48	6.48	6.48	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	7.38	7.38	7.38	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.28	8.28	8.28	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	6.61	6.61	6.61	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1181982

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.