CHEMBL1223192
SMILES | COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |
InChIKey | IREAESBFNUITAT-JTQLQIEISA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 265.1 |
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 | 8.27 | 8.27 | 8.27 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |