CHEMBL1834247
| SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |
| InChIKey | NTLGBVODVYUHJV-XGRCMKMKSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 495.2 |
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 |
| μ | OPRM | Rat | Opioid | A | pKi | 10.33 | 10.33 | 10.33 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Rat | Opioid | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pEC50 | 9.77 | 9.77 | 9.77 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 10.08 | 10.08 | 10.08 | ChEMBL |