GPCRdb

CHEMBL3799455

Agent/drug
Bioactivity

CHEMBL3799455

SMILES	COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
InChIKey	ROTBWFGDDNEYCJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	3
Rotatable bonds	12
Molecular weight (Da)	472.2

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	6.82	6.82	6.82	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.20	8.20	8.20	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.55	5.55	5.55	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.80	7.00	7.19	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.75	7.75	7.75	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.05	6.05	6.05	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	6.62	7.20	7.77	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3799455

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.