CHEMBL473898
SMILES | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 |
InChIKey | VOSNJKFVBDSLTN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 486.3 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.91 | 5.91 | 5.91 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.77 | 6.77 | 6.77 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 7.16 | 7.16 | 7.16 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |