CHEMBL5174929


SMILES COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIKey AJPOWRPZSWEQQN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 427.2

Drug properties

Molecular type Small molecule
Physiological/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 6.32 7.61 8.9 ChEMBL
MT2 MTR1B Human Melatonin A pKi 6.56 7.86 9.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 6.83 8.21 9.59 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 8.03 8.71 9.38 ChEMBL