Compound Detail
CHEMBL3746053
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Basic Information
| ChEMBL ID | CHEMBL3746053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXIMSDLHVHJUFO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.99
ALogP
4
HBA
0
HBD
27.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | EC50 | 5.41 | 5.41 | 3897.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | EC50 | = | 3897.0 | nM | 5.41 | Inhibition of Tubulin polymerization in human HeLa cells assessed as decrease in... | 26602281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26602281 | 10.1016/j.bmcl.2015.11.010 | MES-SA | 1 |
| 26602281 | 10.1016/j.bmcl.2015.11.010 | NON-PROTEIN TARGET | 1 |
| 26602281 | 10.1016/j.bmcl.2015.11.010 | Tubulin | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | MES-SA/Dx5 | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | RL | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | A2780 | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine