GPCRdb

CHEMBL4084612

Agent/drug
Bioactivity

CHEMBL4084612

SMILES	CNC(=O)NCCc1cccc2ccc(OC)nc12
InChIKey	CFXGKPVZFUDUFH-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	259.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	9.22	9.22	9.22	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	10.05	10.05	10.05	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pEC50	7.72	7.72	7.72	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	10.05	10.05	10.05	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4084612

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.