NMRA-140
| SMILES | CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C |
| InChIKey | CQOJHAJWCDJEAT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 453.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.19 | 5.19 | 5.19 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pIC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.96 | 6.96 | 6.96 | Guide to Pharmacology |