GPCRdb

CHEMBL3648356

Agent/drug
Bioactivity

CHEMBL3648356

SMILES	CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21
InChIKey	CCRUCMHMQXUZAT-LBPRGKRZSA-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	10.51	10.51	10.51	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	10.15	10.15	10.15	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	10.24	10.24	10.24	ChEMBL
MT₁	MTR1A	Human	Melatonin	A	pEC50	10.82	10.82	10.82	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pIC50	9.89	9.89	9.89	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	9.29	9.29	9.29	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL3648356

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.