UCM1341
SMILES | O=C(C)NCCc1c(Br)[nH]c2c1cc(cc2)OCCCCCCNC(=O)Oc1cc(ccc1)c1ccccc1 |
InChIKey | SVUSBZIJILRPDJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 591.2 |
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 |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.11 | 9.11 | 9.11 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.77 | 8.77 | 8.77 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |