Compound Detail
CHEMBL186938
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COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL186938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEHXYCJSKSNRKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
6.19
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.83 | 6.83 | 149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.3 | nM | 9.52 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Nociceptin receptor | Ki | = | 149.0 | nM | 6.83 | Binding affinity for opioid receptor like 1 expressed in HEK293 cells | 15454210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Nociceptin receptor | 3 |
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine