GPCRdb

CHEMBL2057451

Agent/drug
Bioactivity

CHEMBL2057451

SMILES	COc1cc2c(cc1OC)[C@@H]1Cc3cc(C)cc(C)c3CN1CC2
InChIKey	BEZZGCHAIFWOPE-IBGZPJMESA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	0
Rotatable bonds	2
Molecular weight (Da)	323.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Human	Dopamine	A	pKi	6.47	6.47	6.47	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.65	6.65	6.65	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Human	Dopamine	A	pIC50	6.17	6.17	6.17	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	5.94	5.94	5.94	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	4.79	4.79	4.79	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL2057451

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.