UCM 454
SMILES | CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC |
InChIKey | XXXKKZBZKUDKMA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 356.1 |
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 | 8.05 | 8.06 | 8.06 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |