GPCRdb

CHEMBL3298897

Agent/drug
Bioactivity

CHEMBL3298897

SMILES	O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1
InChIKey	RWBDYOUHRBKWMC-LJAQVGFWSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	6
Rotatable bonds	12
Molecular weight (Da)	543.3

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	8.00	8.00	8.00	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	8.00	8.00	8.00	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	8.80	9.35	9.90	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pEC50	7.40	7.40	7.40	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3298897

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.