GPCRdb

CHEMBL4530266

Agent/drug
Bioactivity

CHEMBL4530266

SMILES	CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
InChIKey	VBSMKEQICRNWJO-UIOOFZCWSA-N

Chemical Properties

Hydrogen bond acceptors	13
Hydrogen bond donors	5
Rotatable bonds	18
Molecular weight (Da)	593.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pKi	6.32	6.32	6.32	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.41	7.41	7.41	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pIC50	5.44	5.44	5.44	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pIC50	6.77	7.34	7.92	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4530266

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.