GPCRdb

CHEMBL4127811

Agent/drug
Bioactivity

CHEMBL4127811

SMILES	Cc1nc2c(N)nc(NCCc3ccccc3)nc2s1
InChIKey	YSKUWASMFFERQA-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	285.1

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	6.85	6.85	6.85	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	7.11	7.11	7.11	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.26	6.26	6.26	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	5.96	5.96	5.96	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4127811

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.