GPCRdb

CHEMBL4862770

Agent/drug
Bioactivity

CHEMBL4862770

SMILES	COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIKey	AODRELZHCYHJFT-XLIONFOSSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	10
Molecular weight (Da)	428.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.52	7.52	7.52	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.68	5.68	5.68	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.43	6.43	6.43	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.94	7.94	7.94	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.42	7.42	7.43	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.43	6.43	6.43	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	7.34	7.34	7.34	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	8.05	8.28	8.60	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.01	7.22	7.43	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4862770

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.