Compound Detail
CHEMBL541981
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Basic Information
| ChEMBL ID | CHEMBL541981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USRKIASFVMKVLF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
5.54
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.35 | 4.35 | 44500.0 | 1 |
| IGROV-1 CHEMBL613984 | IC50 | 4.32 | 4.32 | 48420.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 4.2 | 4.2 | 63600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 44500.0 | nM | 4.35 | Concentration of compound required for inhibition of (IGROV-1/Pt1) human cisplat... | 16033272 |
| IGROV-1 | IC50 | = | 48420.0 | nM | 4.32 | Concentration of compound required for inhibition of (IGROV-1) human ovarian car... | 16033272 |
| NB-4 | IC50 | = | 63600.0 | nM | 4.2 | Concentration of compound required for inhibition of (NB4) human promyelocytic l... | 16033272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033272 | 10.1021/jm049440h | IGROV-1 | 2 |
| 16033272 | 10.1021/jm049440h | NON-PROTEIN TARGET | 1 |
| 16033272 | 10.1021/jm049440h | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine