GPCRdb

CHEMBL3597649

Agent/drug
Bioactivity

CHEMBL3597649

SMILES	COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
InChIKey	FKBRVKLQNBDXPE-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	434.2

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	7.17	7.17	7.17	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.46	6.46	6.46	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.75	5.75	5.75	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.04	6.04	6.04	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.47	7.47	7.47	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	6.47	6.47	6.47	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.33	7.33	7.33	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	9.02	9.02	9.02	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3597649

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.