CHEMBL1095197


SMILES COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1
InChIKey HKMUTUPQTDJJAR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 513.3

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 8.38 8.38 8.38 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.43 9.43 9.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.06 7.06 7.06 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.66 7.66 7.66 ChEMBL