GPCRdb

CHEMBL391031

Agent/drug
Bioactivity

CHEMBL391031

SMILES	OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4N5)ncnc32)[C@H](O)[C@@H]1O
InChIKey	JRIDKZJMYUERAT-NNBIHLJJSA-N

Chemical Properties

Hydrogen bond acceptors	10
Hydrogen bond donors	5
Rotatable bonds	4
Molecular weight (Da)	362.2

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	7.29	7.29	7.29	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	5.11	5.11	5.11	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pIC50	7.46	7.46	7.46	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL391031

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.