Compound Detail
CHEMBL240870
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL240870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYUOYAHXHKYGLA-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
4.30
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.65
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 6.65 | 6.65 | 225.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.78 | 5.78 | 1672.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.61 | 5.61 | 2454.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.01 | 5.01 | 9784.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 225.0 | nM | 6.65 | Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO... | 17289383 |
| Kappa-type opioid receptor | Ki | = | 1672.0 | nM | 5.78 | Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in ... | 17289383 |
| Mu-type opioid receptor | Ki | = | 2454.0 | nM | 5.61 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 17289383 |
| H4 | EC50 | = | 5100.0 | nM | 5.29 | Induction of autophagy in human H4 cells expressing LC3 using DAPI staining afte... | 21126871 |
| Delta-type opioid receptor | Ki | = | 9784.0 | nM | 5.01 | Displacement of [3H]diprenorphine from human delta opioid receptor expressed in ... | 17289383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17289383 | 10.1016/j.bmcl.2007.01.069 | Nociceptin receptor | 1 |
| 17289383 | 10.1016/j.bmcl.2007.01.069 | Delta-type opioid receptor | 1 |
| 17289383 | 10.1016/j.bmcl.2007.01.069 | Kappa-type opioid receptor | 1 |
| 17289383 | 10.1016/j.bmcl.2007.01.069 | Mu-type opioid receptor | 1 |
| 21126871 | 10.1016/j.bmcl.2010.11.029 | H4 | 1 |
Data from ChEMBL 36 via Core Engine