GPCRdb

CHEMBL4072821

Agent/drug
Bioactivity

CHEMBL4072821

SMILES	CCOC(=O)c1cc2cc(OCCCCN3CCN(c4ccccc4OC)CC3)ccn2n1
InChIKey	HSTZLQFEUGWBDW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	10
Molecular weight (Da)	452.2

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_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.11	7.11	7.11	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.39	6.39	6.39	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.09	8.11	8.13	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.13	8.13	8.13	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.96	7.96	7.96	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	6.16	6.44	6.72	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.30	7.30	7.30	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4072821

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.