CHEMBL515142
SMILES | CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O |
InChIKey | YPOXRWBHPLIZDK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 460.2 |
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 | 5.78 | 5.78 | 5.78 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.78 | 5.78 | 5.78 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 6.78 | 6.78 | 6.78 | PDSP Ki database |
NOP | OPRX | Human | Opioid | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |