GPCRdb

CHEMBL400049

Agent/drug
Bioactivity

CHEMBL400049

SMILES	CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1
InChIKey	HGWFPEHKILIAAE-IBGZPJMESA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	353.2

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	6.40	6.40	6.40	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.43	7.43	7.43	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₃	ADRB3	Human	Adrenoceptors	A	pEC50	7.24	7.24	7.24	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL400049

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.