Compound Detail
CHEMBL3235792
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Basic Information
| ChEMBL ID | CHEMBL3235792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLUZYUVPNBWFJT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
6.10
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.89 | 5.635 | 1300.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| IGROV-1 CHEMBL613984 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against human H460 cells assessed as growth inhibitio... | 24742384 |
| HCT-116 | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human HCT116 cells assessed as growth inhibit... | 24742384 |
| IGROV-1 | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human IGROV1 cells assessed as growth inhibit... | 24742384 |
| NON-PROTEIN TARGET | IC50 | = | 4160.0 | nM | 5.38 | Antiproliferative activity against p53 defective cis-platinum-resistant human IG... | 24742384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24742384 | 10.1016/j.ejmech.2014.04.021 | NON-PROTEIN TARGET | 2 |
| 24742384 | 10.1016/j.ejmech.2014.04.021 | HCT-116 | 1 |
| 24742384 | 10.1016/j.ejmech.2014.04.021 | IGROV-1 | 1 |
Data from ChEMBL 36 via Core Engine