compound 4 [PMID: 32677155]
SMILES | FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1 |
InChIKey | YNSHZGLASDJCCG-SANMLTNESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 645.2 |
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 | 7.64 | 7.64 | 7.64 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |