LP-211


SMILES N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
InChIKey BQEDZLDNNBDKDS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 466.3

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 8.19 8.19 8.19 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.05 10.05 10.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.58 7.58 7.58 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.62 8.62 8.62 ChEMBL