GPCRdb

CHEMBL344706

Agent/drug
Bioactivity

CHEMBL344706

SMILES	CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1
InChIKey	SJZFDIQTLVHZRM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	283.1

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	Rat	Adenosine	A	pKi	6.86	6.86	6.86	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	8.00	8.00	8.00	ChEMBL
A_2A	AA2AR	Rat	Adenosine	A	pKi	7.69	7.69	7.69	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	8.59	8.60	8.60	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	7.41	7.41	7.41	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.21	6.30	6.39	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₃	AA3R	Human	Adenosine	A	pIC50	7.40	7.40	7.40	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL344706

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.