GPCRdb

CHEMBL221206

Agent/drug
Bioactivity

CHEMBL221206

SMILES	CNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey	AVTOZWUEVSSUNP-KSVNGYGVSA-N

Chemical Properties

Hydrogen bond acceptors	10
Hydrogen bond donors	4
Rotatable bonds	4
Molecular weight (Da)	424.2

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	5.04	5.04	5.04	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	4.79	4.79	4.79	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.72	8.72	8.72	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Human	Adenosine	A	pEC50	6.92	6.92	6.92	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL221206

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.