GPCRdb

CHEMBL3961059

Agent/drug
Bioactivity

CHEMBL3961059

SMILES	CNCc1ccc(Cl)c(-c2ccccc2OC)c1
InChIKey	NSASZAUFRUOUIN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	261.1

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	5.77	5.77	5.77	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.92	5.92	5.92	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.92	5.92	5.92	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.62	5.62	5.62	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.42	6.42	6.42	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.89	7.89	7.89	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.70	6.70	6.70	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	6.38	6.38	6.38	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.89	5.89	5.89	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	8.28	8.28	8.28	ChEMBL

Showing 1 to 10 of 10 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pEC50	6.26	6.48	6.83	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3961059

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.