Compound Detail
CHEMBL140680
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Basic Information
| ChEMBL ID | CHEMBL140680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLCLCXFJTRYMDE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.72
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 380.0 | nM | 6.42 | In vitro inhibitory activity against SK-OV-3 cells using XTT proliferation assay... | 11741473 |
| HeLa | IC50 | = | 1210.0 | nM | 5.92 | In vitro inhibitory activity against HeLa/KB cells using XTT proliferation assay... | 11741473 |
| Tubulin beta chain | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of tubulin polymerization. | 11741473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741473 | 10.1021/jm010940+ | Tubulin beta chain | 1 |
| 11741473 | 10.1021/jm010940+ | HeLa | 1 |
| 11741473 | 10.1021/jm010940+ | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine