Compound Detail
CHEMBL51409
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Basic Information
| ChEMBL ID | CHEMBL51409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFKXUFWYUQWHNT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.93
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.34 | 4.83 | 457.1 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin alpha chain | IC50 | = | 457.09 | nM | 6.34 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | Inhibition of tubulin polymerization | 20187635 |
| Tubulin alpha chain | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of colchicine binding(ICB). Tubulin concentration was 1 uM | 11689079 |
| Tubulin alpha chain | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of colchicine binding(ICB). [3H]colchicine concentration was 5 uM | 11689079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689079 | 10.1021/jm0101085 | Tubulin alpha chain | 3 |
| 14987069 | 10.1021/np030373o | NON-PROTEIN TARGET | 2 |
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 11689079 | 10.1021/jm0101085 | K562 | 1 |
| 11689079 | 10.1021/jm0101085 | NCI-H226 | 1 |
| 11689079 | 10.1021/jm0101085 | HCT-116 | 1 |
| 11689079 | 10.1021/jm0101085 | OVCAR-3 | 1 |
| 11689079 | 10.1021/jm0101085 | RXF 393 | 1 |
| 11689079 | 10.1021/jm0101085 | Unchecked | 1 |
| 11689079 | 10.1021/jm0101085 | SF-268 | 1 |
| 11689079 | 10.1021/jm0101085 | SF-295 | 1 |
| 20187635 | 10.1021/np900821e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine