Compound Detail
CHEMBL322515
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Basic Information
| ChEMBL ID | CHEMBL322515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDFCYCFNUWUGGU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
6.21
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.94 | 6.94 | 116.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.03 | 5.03 | 9385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.0 | nM | 9.0 | Antagonistic activity against opioid receptor mu1 | 12951102 |
| Mu-type opioid receptor | Ki | = | 1.0 | nM | 9.0 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Nociceptin receptor | Ki | = | 116.0 | nM | 6.94 | Antagonistic activity against orphan FQ receptor | 12951102 |
| Nociceptin receptor | Ki | = | 116.0 | nM | 6.94 | Binding affinity for opioid receptor like 1 expressed in HEK293 cells | 15454210 |
| Delta-type opioid receptor | Ki | = | 9385.0 | nM | 5.03 | Antagonistic activity against Opioid receptor delta 1 | 12951102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Nociceptin receptor | 3 |
| 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 |
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine