GPCRdb

CHEMBL4764679

Agent/drug
Bioactivity

CHEMBL4764679

SMILES	CN1CCc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O
InChIKey	RDGPIFCCGRDXMY-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	437.2

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	Rat	5-Hydroxytryptamine	A	pKi	8.04	8.04	8.04	ChEMBL
5-HT_2C	5HT2C	Rat	5-Hydroxytryptamine	A	pKi	5.77	5.77	5.77	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	8.02	8.02	8.02	ChEMBL
5-HT₇	5HT7R	Rat	5-Hydroxytryptamine	A	pKi	8.31	8.31	8.31	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	8.16	8.16	8.16	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.65	6.65	6.65	ChEMBL
H₁	HRH1	Guinea pig	Histamine	A	pKi	5.92	5.92	5.92	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	7.25	7.25	7.25	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	7.33	7.33	7.33	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pIC50	7.40	7.40	7.40	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pIC50	7.90	7.90	7.90	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	8.20	8.20	8.20	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL4764679

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.