GPCRdb

CHEMBL1258704

Agent/drug
Bioactivity

CHEMBL1258704

SMILES	CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey	LCEDLVNAZPHDLS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	502.2

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	7.00	7.00	7.00	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.00	8.00	8.00	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pKi	7.19	7.19	7.19	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₃	ADRB3	Human	Adrenoceptors	A	pEC50	7.00	7.00	7.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1258704

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.