CHEMBL593824
SMILES | CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1 |
InChIKey | MAPOTTLVIWZPHI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 450.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 8.33 | 8.33 | 8.33 | ChEMBL |