Compound Detail
CHEMBL609135
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O=C1/C(=C/c2ccc3ccccc3c2)C[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5
Basic Information
| ChEMBL ID | CHEMBL609135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COXHSSWZQBEBOP-QUERJOBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.37
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 39.0 | nM | 7.41 | Binding affinity evaluated by inhibition of binding of [3H]DADLE to delta opioid... | 10091684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091684 | 10.1016/s0960-894x(98)00745-8 | Delta-type opioid receptor | 1 |
| 10091684 | 10.1016/s0960-894x(98)00745-8 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine