GproteinDb

CHEMBL4859677

Agent/drug
Bioactivity

CHEMBL4859677

SMILES	CCOc1nc2ccc(OC)cc2n1CCNC(C)=O
InChIKey	MRWHUOOPUIAFSB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	277.1

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	9.38	9.38	9.38	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.03	9.03	9.03	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	9.48	9.94	10.40	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pEC50	9.59	9.59	9.59	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4859677

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.