GPCRdb

CHEMBL3290984

Agent/drug
Bioactivity

CHEMBL3290984

SMILES	COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
InChIKey	DYDZPCGUFFYCPJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	5
Rotatable bonds	10
Molecular weight (Da)	408.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pKi	4.50	4.50	4.50	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	5.90	5.90	5.90	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₂	ADRB2	Human	Adrenoceptors	A	pEC50	8.40	8.40	8.40	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3290984

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.