GPCRdb

CHEMBL5426242

Agent/drug
Bioactivity

CHEMBL5426242

SMILES	COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC3
InChIKey	ULYBTXJNQXAQFS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	418.2

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	7.94	7.94	7.94	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.74	5.75	5.75	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.25	6.25	6.26	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.72	6.72	6.72	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.07	7.07	7.07	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.62	7.62	7.62	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	7.59	7.59	7.59	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	5.98	5.98	5.98	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	7.06	7.06	7.07	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	7.62	7.67	7.73	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	5.83	6.38	6.92	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	5.93	6.05	6.32	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL5426242

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.