Compound Detail
CHEMBL187445
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Basic Information
| ChEMBL ID | CHEMBL187445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGPXBXKQBHHNFO-QHHAFSJGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
6.26
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NB-4 CHEMBL614188 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| IGROV-1 CHEMBL613984 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 1500.0 | nM | 5.82 | Concentration of compound required for inhibition of (NB4) human promyelocytic l... | 16033272 |
| NON-PROTEIN TARGET | IC50 | = | 2100.0 | nM | 5.68 | Concentration of compound required for inhibition of (IGROV-1/Pt1) human cisplat... | 16033272 |
| IGROV-1 | IC50 | = | 2200.0 | nM | 5.66 | Concentration of compound required for inhibition of (IGROV-1) human ovarian car... | 16033272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033272 | 10.1021/jm049440h | IGROV-1 | 1 |
| 16033272 | 10.1021/jm049440h | NON-PROTEIN TARGET | 1 |
| 16033272 | 10.1021/jm049440h | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine