CBOBNEA


SMILES CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2
InChIKey VTMXSWVEWDJSKG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 497.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pKi 9.3 9.3 9.3 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 7.29 7.29 7.29 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.26 9.26 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 7.58 7.58 7.58 ChEMBL