GPCRdb

CHEMBL3800636

Agent/drug
Bioactivity

CHEMBL3800636

SMILES	COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey	FNDYKBLJPFQMEN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	3
Rotatable bonds	12
Molecular weight (Da)	421.2

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	Mouse	Adrenoceptors	A	pKi	5.64	5.64	5.64	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.28	7.28	7.28	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.07	6.07	6.07	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.92	7.06	7.20	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.92	7.92	7.92	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.42	7.42	7.42	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₂	ADRB2	Human	Adrenoceptors	A	pEC50	4.33	4.33	4.33	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	5.58	6.27	6.96	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3800636

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.