CHEMBL5209359


SMILES CCN(CC)c1ccc2c(COC(=O)n3cc(CCNC(C)=O)c4cc(OC)ccc43)cc(=O)oc2c1
InChIKey VVBRRWCZJGFFJC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 505.2

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
MT2 MTR1B Human Melatonin A pKi 8.34 8.5 8.66 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.46 8.1 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.47 8.33 9.19 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.23 9.29 9.35 ChEMBL