ArrestinDb

CHEMBL1160734

Agent/drug
Bioactivity

CHEMBL1160734

SMILES	C=CCc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey	PAZJSJFMUHDSTF-AWEZNQCLSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	249.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	6PRZ 6PS2 3NYA 8JJO 6OBA
Ligand site mutations	β₁ β₂

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pKi	8.84	8.84	8.84	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKd	9.05	9.05	9.05	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	9.03	9.03	9.03	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pIC50	8.23	8.23	8.23	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pIC50	8.64	8.89	9.14	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL1160734

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
Structure pdb	6PRZ 6PS2 3NYA 8JJO 6OBA
Ligand site mutations	β₁ β₂

Compound is not listed as a drug.