GPCRdb

CHEMBL27809

Agent/drug
Bioactivity

CHEMBL27809

SMILES	OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey	ISZYFLVJJCPYGN-NFPQMFLLSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	4
Rotatable bonds	5
Molecular weight (Da)	527.0

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	Rat	Adenosine	A	pKi	6.85	6.85	6.85	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	7.19	7.19	7.19	ChEMBL
A_2A	AA2AR	Rat	Adenosine	A	pKi	6.13	6.13	6.13	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	5.80	5.80	5.80	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	4.39	4.39	4.39	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.65	8.67	8.72	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Rat	Adenosine	A	pEC50	6.17	6.17	6.17	ChEMBL
A₁	AA1R	Human	Adenosine	A	pEC50	6.85	6.85	6.85	ChEMBL
A₃	AA3R	Human	Adenosine	A	pEC50	9.17	9.17	9.17	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL27809

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.