CHEMBL1760957


SMILES COc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3
InChIKey PHKIWNIEUVDHIM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 287.2

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
MT1 MTR1A Human Melatonin A pKi 8.05 8.05 8.05 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 7.8 7.8 7.8 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 8.89 8.89 8.89 ChEMBL