SNC80
SMILES | C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC |
InChIKey | KQWVAUSXZDRQPZ-UMTXDNHDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 449.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 5.45 | 5.45 | 5.45 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pKi | 5.56 | 5.71 | 5.87 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 5.62 | 5.89 | 6.16 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 7.78 | 8.71 | 9.15 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 4.93 | 5.15 | 5.45 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 5.09 | 5.68 | 5.89 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.77 | 8.87 | 8.92 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.38 | 5.43 | 5.45 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.89 | 6.17 | 6.45 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Rat | Opioid | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.19 | 7.99 | 9.1 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 5.15 | 5.46 | 5.9 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 5.03 | 5.37 | 5.61 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.31 | 8.55 | 8.89 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 6.12 | 8.03 | 8.77 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.32 | 6.11 | 6.5 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 9.85 | 9.85 | 9.85 | ChEMBL |