GPCRdb

CHEMBL329263

Agent/drug
Bioactivity

CHEMBL329263

SMILES	COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIKey	URBHHEGXYAFBNW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	323.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	8.90	8.90	8.90	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	10.30	10.30	10.30	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	7.68	7.68	7.68	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pIC50	10.80	10.80	10.80	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL329263

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.