CHEMBL4867553


SMILES COc1ccc2nc(SC)n(CCNC(C)=O)c2c1
InChIKey SWMZGIRIHACCTN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 279.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pKi 8.49 8.49 8.49 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.12 9.12 9.12 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.62 9.62 9.62 ChEMBL