Compound Detail
CHEMBL3937789
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Basic Information
| ChEMBL ID | CHEMBL3937789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMKPGTFNJXGKMA-XLPKQRTJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.19
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.29
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.86 | 5.86 | 1383.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.29 | 5.29 | 5145.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 4.65 | 4.65 | 22603.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 4.4 | 4.4 | 40103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1383.07 | nM | 5.86 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Mu-type opioid receptor | EC50 | = | 5145.0 | nM | 5.29 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Kappa-type opioid receptor | Ki | = | 22603.05 | nM | 4.65 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Kappa-type opioid receptor | EC50 | = | 40103.0 | nM | 4.4 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
Data from ChEMBL 36 via Core Engine