GPCRdb

CHEMBL4069091

Agent/drug
Bioactivity

CHEMBL4069091

SMILES	O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccn2ncc(/C=N\O)c2c1
InChIKey	HQCCZCGQNSJNDG-YSMPRRRNSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	474.1

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	8.59	8.59	8.59	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.54	5.54	5.54	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	9.24	9.27	9.30	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.66	8.66	8.66	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.51	7.51	7.51	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	6.22	6.22	6.22	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	8.42	8.42	8.42	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4069091

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.