(1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10-carboxamide
SMILES | CN1CCC23C4C1CC5=C2C(=C(C=C5)C(=O)N)OC3C(=O)CC4 |
InChIKey | BSIMUCFMGOYWKP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 312.1 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 8.92 | 8.92 | 8.92 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 7.72 | 7.72 | 7.72 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |