Compound Detail
CHEMBL186426
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Basic Information
| ChEMBL ID | CHEMBL186426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUUVJYLJXYLRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.0
MW (Da)
5.85
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.43 | 6.43 | 372.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 37.0 | nM | 7.43 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Nociceptin receptor | Ki | = | 372.0 | nM | 6.43 | 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