GPCRdb

CHEMBL1774538

Agent/drug
Bioactivity

CHEMBL1774538

SMILES	COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
InChIKey	DSOWHOSHPUSGFM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
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	6.86	6.86	6.86	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.52	5.52	5.52	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.62	6.62	6.62	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.42	8.42	8.42	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	6.36	6.36	6.36	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	6.38	6.38	6.38	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.49	6.29	7.08	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL1774538

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.