GPCRdb

CHEMBL4476699

Agent/drug
Bioactivity

CHEMBL4476699

SMILES	CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
InChIKey	DRRONPWFEYCYOF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	439.2

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	7.58	7.58	7.58	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.62	8.62	8.62	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	7.73	7.73	7.73	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.20	8.20	8.20	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.81	9.81	9.81	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.45	6.45	6.45	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	7.51	7.51	7.51	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.73	7.73	7.73	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	6.39	6.39	6.39	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4476699

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.