Compound Detail
CHEMBL599174
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Basic Information
| ChEMBL ID | CHEMBL599174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXMBJVPQIBOFTL-JSGCOSHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.14
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.1 | 6.1 | 795.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.13 | 5.13 | 7480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 795.0 | nM | 6.1 | Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells | 20005115 |
| Delta-type opioid receptor | Ki | = | 7480.0 | nM | 5.13 | Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells | 20005115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005115 | 10.1016/j.bmc.2009.11.022 | Mu-type opioid receptor | 1 |
| 20005115 | 10.1016/j.bmc.2009.11.022 | Delta-type opioid receptor | 1 |
| 20005115 | 10.1016/j.bmc.2009.11.022 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine