Compound Detail
CHEMBL2386903
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Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2
Basic Information
| ChEMBL ID | CHEMBL2386903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUVNYOJIQGJKFG-SVBPBHIXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
5.99
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 6.87 | 6.87 | 136.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.76 | 6.76 | 174.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.72 | 5.72 | 1922.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 136.0 | nM | 6.87 | Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed... | 23618710 |
| Mu-type opioid receptor | Ki | = | 174.0 | nM | 6.76 | Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in... | 23618710 |
| Kappa-type opioid receptor | Ki | = | 1922.0 | nM | 5.72 | Displacement of [3H]U69,593 from human recombinant kappa opioid receptor express... | 23618710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23618710 | 10.1016/j.bmc.2013.02.060 | Unchecked | 3 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Kappa-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Delta-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine