Compound Detail
CHEMBL513171
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Basic Information
| ChEMBL ID | CHEMBL513171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRRWZIHKAODIIS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
5.39
ALogP
4
HBA
1
HBD
49.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.0 | 6.71 | 10.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed... | 19339177 |
| Mu-type opioid receptor | Ki | = | 470.0 | nM | 6.33 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 19339177 |
| Nociceptin receptor | Ki | = | 3759.0 | nM | 5.42 | Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed... | 19339177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19339177 | 10.1016/j.bmcl.2009.03.031 | Nociceptin receptor | 2 |
| 19339177 | 10.1016/j.bmcl.2009.03.031 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine