nor-binaltorphimine
SMILES | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)CC1CC1 |
InChIKey | APSUXPSYBJVPPS-YAUKWVCOSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 4 |
Molecular weight (Da) | 661.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.9 | 9.95 | 11.0 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
κ | OPRK | Rat | Opioid | A | pKi | 9.6 | 10.15 | 10.7 | Guide to Pharmacology |
κ | OPRK | Rat | Opioid | A | pKi | 7.9 | 9.31 | 10.15 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pKd | 8.78 | 8.78 | 8.78 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 7.38 | 7.8 | 8.28 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.96 | 9.26 | 10.42 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 6.99 | 7.85 | 9.66 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.19 | 8.02 | 9.52 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.89 | 9.56 | 10.57 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.1 | 7.68 | 9.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
κ | OPRK | Mouse | Opioid | A | pIC50 | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
κ | OPRK | Mouse | Opioid | A | pIC50 | 8.54 | 8.54 | 8.54 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 7.98 | 7.98 | 7.98 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 6.74 | 7.48 | 8.22 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.62 | 7.63 | 7.66 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 8.03 | 8.61 | 9.55 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.67 | 6.67 | 6.67 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |