GPCRdb

CHEMBL1774540

Agent/drug
Bioactivity

CHEMBL1774540

SMILES	COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1
InChIKey	XUBVWPDKERMCAP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	454.2

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	5.93	5.93	5.93	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.45	5.45	5.45	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.52	6.52	6.52	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.34	8.34	8.34	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₃	DRD3	Human	Dopamine	A	pIC50	5.52	5.73	5.94	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1774540

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.