GPCRdb

CHEMBL3797876

Agent/drug
Bioactivity

CHEMBL3797876

SMILES	COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
InChIKey	AFWAVLNIGSUCHI-HNNXBMFYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	4
Rotatable bonds	8
Molecular weight (Da)	319.1

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	Mouse	Adrenoceptors	A	pKi	6.80	6.80	6.80	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.01	7.01	7.01	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.05	6.05	6.05	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.19	6.28	6.37	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.66	5.66	5.66	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.52	6.52	6.52	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pEC50	7.10	7.25	7.40	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	6.57	6.86	7.20	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	6.77	6.77	6.77	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3797876

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.