GPCRdb

CHEMBL3648355

Agent/drug
Bioactivity

CHEMBL3648355

SMILES	CC(=O)NCCC1CCc2ccc3nc(C)oc3c21
InChIKey	CCRUCMHMQXUZAT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	258.1

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	10.17	10.17	10.17	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.89	9.89	9.89	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	pIC50	9.82	9.82	9.82	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pIC50	9.51	9.51	9.51	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3648355

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.