LY320135
SMILES | COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC |
InChIKey | RYNSGDFWBJWWSZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 383.1 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 9.49 | 9.49 | 9.49 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 6.89 | 6.89 | 6.89 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 6.59 | 6.59 | 6.59 | Guide to Pharmacology |
μ | OPRM | Rat | Opioid | A | pKi | 7.82 | 7.82 | 7.82 | Guide to Pharmacology |
δ | OPRD | Mouse | Opioid | A | pKi | 9.04 | 9.04 | 9.04 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 7.44 | 7.54 | 7.82 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.47 | 6.18 | 6.89 | ChEMBL |
κ | OPRK | Rat | Opioid | A | pKi | 7.47 | 7.47 | 7.47 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 9.2 | 9.36 | 9.51 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 5.63 | 7.41 | 8.01 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 9.4 | 9.66 | 9.92 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 9.64 | 9.64 | 9.64 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |