Compound Detail
CHEMBL4162100
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Basic Information
| ChEMBL ID | CHEMBL4162100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXWXLMOQPZLWEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
5.05
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of bovine brain tubulin polymerization preincubated for 15 mins follo... | 29197729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29197729 | 10.1016/j.ejmech.2017.11.038 | HeLa | 6 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | A549 | 3 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Unchecked | 2 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Kasumi 1 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Jurkat | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | RS4-11 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | MDA-MB-231 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine