Compound Detail
CHEMBL50139
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Basic Information
| ChEMBL ID | CHEMBL50139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIXXNWFKABMGBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.56
ALogP
6
HBA
1
HBD
77.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 446.68 | nM | 6.35 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine