CHEMBL4873903


SMILES COc1nc2ccc3c(c2n1CCNC(C)=O)CCO3
InChIKey HIZPNVPXLSHAHA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 275.1

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 9.42 9.42 9.42 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.21 9.21 9.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 10.22 10.22 10.22 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.38 9.88 10.38 ChEMBL