GPCRdb

CHEMBL514885

Agent/drug
Bioactivity

CHEMBL514885

SMILES	CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIKey	YDLWLYDTYNHXBM-VWLOTQADSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	475.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	D₃

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Rat	Dopamine	A	pKi	6.58	6.60	6.63	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.58	6.58	6.58	ChEMBL
D₃	DRD3	Rat	Dopamine	A	pKi	9.03	9.04	9.04	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.04	9.04	9.04	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	7.48	7.59	7.70	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	8.82	9.45	10.07	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL514885

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
Ligand site mutations	D₃

Compound is not listed as a drug.