GPCRdb

CHEMBL3597636

Agent/drug
Bioactivity

CHEMBL3597636

SMILES	O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1
InChIKey	KRUWNGHFXJBYSG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	454.2

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	8.05	8.05	8.05	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	7.36	7.36	7.36	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.59	6.59	6.59	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.44	8.44	8.44	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	7.77	7.77	7.77	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	6.14	6.14	6.14	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	6.70	6.70	6.70	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.14	7.14	7.14	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.89	7.89	7.89	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL3597636

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.