GPCRdb

CHEMBL244990

Agent/drug
Bioactivity

CHEMBL244990

SMILES	O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1
InChIKey	JTJUCUMXKUPFBQ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	498.2

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_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.46	7.46	7.46	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.37	7.37	7.37	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.94	6.94	6.94	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.57	6.57	6.57	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.52	8.52	8.52	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.33	5.33	5.33	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	7.80	7.80	7.80	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	7.80	7.80	7.80	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	9.00	9.00	9.00	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	9.00	9.00	9.00	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL244990

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.