S26131


SMILES CC(=O)NCCc1cccc2c1cc(OCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2
InChIKey NSXBZYDTTKLTOH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 498.3

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 6.45 6.83 6.95 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.95 8.37 9.3 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.4 8.85 9.3 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 6.8 6.9 7.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database