ATLa2
SMILES | OC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](COc1ccc(cc1)F)C)O)O |
InChIKey | SGFIFYSIHRWSCE-LLXPRBAESA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 404.2 |
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 | 6.78 | 7.06 | 7.14 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.51 | 9.08 | 9.22 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.5 | 8.85 | 9.2 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 6.8 | 7.0 | 7.2 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 7.14 | 7.14 | 7.14 | ChEMBL |