MS48107


SMILES OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F
InChIKey KKHDNAZPEMYUNO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 417.2

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 pKd 5.96 5.96 5.96 ChEMBL
MT1 MTR1A Human Melatonin A pKd 5.23 5.23 5.23 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.5 6.56 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR68 OGR1 Human A orphans A pKB 5.85 5.85 5.85 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pEC50 6.27 6.27 6.27 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.5 6.5 6.5 ChEMBL