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 |
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 |