Compound Detail
CHEMBL140777
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Basic Information
| ChEMBL ID | CHEMBL140777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHGYRZZEORVLFK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
4.17
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 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 910.0 | nM | 6.04 | In vitro inhibitory activity against HeLa/KB cells using XTT proliferation assay... | 11741473 |
| SK-OV-3 | IC50 | = | 910.0 | nM | 6.04 | In vitro inhibitory activity against SK-OV-3 cells using XTT proliferation assay... | 11741473 |
| Tubulin beta chain | IC50 | = | 4300.0 | nM | 5.37 | 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 |
| 11741473 | 10.1021/jm010940+ | Tumor Cell line | 1 |
Data from ChEMBL 36 via Core Engine