GPCRdb

CHEMBL5431103

Agent/drug
Bioactivity

CHEMBL5431103

SMILES	COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIKey	NOSXOCMQQISHPL-IYARVYRRSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	441.2

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	8.22	8.22	8.22	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.27	7.27	7.27	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.83	8.83	8.83	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.34	5.34	5.34	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.54	8.54	8.54	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.85	9.85	9.85	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.12	6.12	6.12	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	8.65	8.71	8.77	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	8.80	8.80	8.80	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	8.34	8.34	8.34	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5431103

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.