UK-432,097


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1
InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 7
Rotatable bonds 14
Molecular weight (Da) 777.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3QAK 5WF6 5WF5 7EZC

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pKi 7.07 7.07 7.07 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.39 8.39 8.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 8.62 8.62 8.62 ChEMBL