JCF 109
SMILES | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 |
InChIKey | BPBPTEVVRMSHTB-WGSAOQKQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 453.2 |
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 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
μ | OPRM | Rat | Opioid | A | pKi | 8.18 | 8.18 | 8.18 | Guide to Pharmacology |
μ | OPRM | Rhesus macaque | Opioid | A | pKi | 10.7 | 10.85 | 11.0 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.7 | 9.7 | 9.7 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 6.73 | 6.73 | 6.73 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.93 | 6.93 | 6.93 | PDSP Ki database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.23 | 6.23 | 6.23 | PDSP Ki database |
δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 6.85 | 6.85 | 6.85 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 10.52 | 10.52 | 10.52 | Guide to Pharmacology |