GPCRdb

CHEMBL3298325

Agent/drug
Bioactivity

CHEMBL3298325

SMILES	COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1
InChIKey	BBKQWNRTHAAOCF-PMERELPUSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	6
Rotatable bonds	11
Molecular weight (Da)	550.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.80	8.80	8.80	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pEC50	8.40	8.40	8.40	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	9.50	9.80	10.10	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pEC50	7.60	7.60	7.60	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3298325

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.