GPCRdb

CHEMBL5399720

Agent/drug
Bioactivity

CHEMBL5399720

SMILES	COc1ccc2nc(CCCN3CCC(c4ccccn4)CC3)sc2c1
InChIKey	BGSFWUHHMGJEBX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	367.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pKi	6.37	6.37	6.37	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.14	5.14	5.14	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.21	8.21	8.21	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	5.93	5.93	5.93	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	5.35	5.46	5.58	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.06	5.06	5.06	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	5.42	5.42	5.42	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	7.41	7.41	7.41	ChEMBL
D₄	DRD4	Human	Dopamine	A	pIC50	6.14	6.48	6.82	ChEMBL

Showing 1 to 6 of 6 entries

CHEMBL5399720

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.