Compound Detail
CHEMBL401451
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Basic Information
| ChEMBL ID | CHEMBL401451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGMDVZBHCTYDZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.27
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.79 | 7.79 | 16.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.43 | 7.43 | 37.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.14 | 6.14 | 724.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 3.2 | nM | 8.49 | Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO... | 17289383 |
| Kappa-type opioid receptor | Ki | = | 16.4 | nM | 7.79 | Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in ... | 17289383 |
| Mu-type opioid receptor | Ki | = | 37.4 | nM | 7.43 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 17289383 |
| Delta-type opioid receptor | Ki | = | 724.5 | nM | 6.14 | 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 |
Data from ChEMBL 36 via Core Engine