JDTic
SMILES | Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O |
InChIKey | ZLVXBBHTMQJRSX-VMGNSXQWSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 465.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pKi | 9.0 | 10.21 | 9.4 | Guide to Pharmacology |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.49 | 10.09 | 10.7 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 8.43 | 8.51 | 8.67 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.73 | 7.23 | 7.53 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.39 | 10.29 | 11.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKd | 10.46 | 10.46 | 10.46 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.94 | 8.45 | 9.02 | ChEMBL |
κ | OPRK | Rat | Opioid | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |