NALBzoH
SMILES | C=CCN1CCC23C4C(=NNC(=O)C5=CC=CC=C5)CCC2(C1CC6=C3C(=C(C=C6)O)O4)O |
InChIKey | AKXCFAYOTIEFOH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 445.2 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 8.74 | 9.14 | 9.54 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 8.22 | 8.35 | 8.47 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.52 | 9.52 | 9.52 | PDSP Ki database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.4 | 9.4 | 9.4 | PDSP Ki database |
δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
μ | OPRM | Mouse | Opioid | A | pKi | 9.7 | 9.81 | 9.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |