(1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10-carboxamide
SMILES | C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)C(=O)N)CCN3CC6CC6)O |
InChIKey | VTWNPJUAXNDVSF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 366.2 |
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 | 8.59 | 8.59 | 8.59 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 7.17 | 7.17 | 7.17 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 8.68 | 8.68 | 8.68 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |