GPCRdb

CHEMBL3139450

Agent/drug
Bioactivity

CHEMBL3139450

SMILES	Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2
InChIKey	OCELOKBVPAERLI-MRXNPFEDSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	395.0

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Human	Dopamine	A	pKi	5.06	5.07	5.09	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.85	7.63	8.69	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.86	8.05	8.25	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.80	8.80	8.81	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	5.42	5.44	5.45	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	9.20	9.20	9.20	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3139450

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.