GPCRdb

CHEMBL4302655

Agent/drug
Bioactivity

CHEMBL4302655

SMILES	COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1
InChIKey	SODIABUAKYTHPQ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	9
Molecular weight (Da)	398.3

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.82	7.82	7.82	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.30	8.30	8.30	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.61	6.61	6.61	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.62	5.62	5.62	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	7.16	7.16	7.16	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.72	6.72	6.72	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	7.25	7.25	7.25	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	4.74	4.74	4.74	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pIC50	5.74	5.74	5.74	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	7.09	7.09	7.09	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL4302655

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.