GPCRdb

CHEMBL3414939

Agent/drug
Bioactivity

CHEMBL3414939

SMILES	CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey	PCCBWJONNFIZJH-FLNNQWSLSA-N

Chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	3
Rotatable bonds	4
Molecular weight (Da)	381.1

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	8.07	8.07	8.07	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	5.47	5.47	5.47	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	9.37	9.37	9.37	ChEMBL
A₃	AA3R	Rat	Adenosine	A	pKi	6.22	6.22	6.22	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pEC50	6.60	6.60	6.60	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pEC50	6.62	6.62	6.62	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pEC50	5.46	5.46	5.46	ChEMBL
A₃	AA3R	Human	Adenosine	A	pEC50	8.11	8.11	8.11	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL3414939

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.