alloswitch-1
SMILES | COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl |
InChIKey | JJRNGNCTPCWXGM-WCWDXBQESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 366.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7P2L |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.43 | 9.43 | 9.43 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 7.06 | 7.06 | 7.06 | ChEMBL |