GPCRdb

CHEMBL3929143

Agent/drug
Bioactivity

CHEMBL3929143

SMILES	COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey	PDMOOGGSAAZHAT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	376.2

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	6.78	6.78	6.78	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKd	6.88	6.88	6.88	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKd	6.60	6.87	7.13	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	7.00	7.00	7.00	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	pIC50	8.72	8.72	8.72	ChEMBL
A₃	AA3R	Human	Adenosine	A	pIC50	8.29	8.29	8.29	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3929143

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.