CHEMBL1186506
SMILES | Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(NC3CCCCC3NC(=N)N)c2c1 |
InChIKey | QMDMBZRAKLLSDM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 5 |
Molecular weight (Da) | 451.2 |
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 |
κ | OPRK | Rat | Opioid | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |