S26284


SMILES CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2
InChIKey AGGOYESCDGTCOY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 512.3

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 6.78 7.06 7.14 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.51 9.08 9.22 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.5 8.85 9.2 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 6.8 7.0 7.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.39 6.39 6.39 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.14 7.14 7.14 ChEMBL