CHEMBL1650851
SMILES | O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 |
InChIKey | IHTVZEPWUCPDDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 357.2 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 8.37 | 8.37 | 8.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 6.71 | 6.71 | 6.71 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.84 | 6.84 | 6.84 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |