Compound Detail
CHEMBL109598
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Basic Information
| ChEMBL ID | CHEMBL109598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZJNFWLVAYGYRO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
6.00
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.78 | 5.78 | 1653.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.06 | 5.06 | 8779.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 47.0 | nM | 7.33 | Antagonistic activity against orphan FQ receptor | 12951102 |
| Mu-type opioid receptor | Ki | = | 124.0 | nM | 6.91 | Antagonistic activity against opioid receptor mu1 | 12951102 |
| Kappa-type opioid receptor | Ki | = | 1653.0 | nM | 5.78 | Antagonistic activity against opioid receptor kappa 1 | 12951102 |
| Delta-type opioid receptor | Ki | = | 8779.0 | nM | 5.06 | Antagonistic activity against Opioid receptor delta 1 | 12951102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Mu-type opioid receptor | 2 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Nociceptin receptor | 1 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Delta-type opioid receptor | 1 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine