GPCRdb

CHEMBL3613879

Agent/drug
Bioactivity

CHEMBL3613879

SMILES	Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl
InChIKey	ILRFVZOWNPFKOR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	455.1

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	8.28	8.28	8.28	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.96	6.96	6.96	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.89	7.08	7.27	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.07	8.07	8.07	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.38	7.38	7.38	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	5.95	5.95	5.95	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3613879

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.