Compound Detail
CHEMBL141894
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Basic Information
| ChEMBL ID | CHEMBL141894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHMGRMISMYGXLU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.85
ALogP
6
HBA
1
HBD
67.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of bovine tubulin polymerization | 11087572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087572 | 10.1021/jm000151c | KB | 2 |
| 11087572 | 10.1021/jm000151c | Tubulin | 2 |
| 11087572 | 10.1021/jm000151c | 1A9 | 1 |
| 11087572 | 10.1021/jm000151c | HCT-8 | 1 |
| 11087572 | 10.1021/jm000151c | A549 | 1 |
| 11087572 | 10.1021/jm000151c | U-87 MG | 1 |
| 11087572 | 10.1021/jm000151c | HOS | 1 |
| 11087572 | 10.1021/jm000151c | PC-3 | 1 |
| 11087572 | 10.1021/jm000151c | MCF7 | 1 |
| 11087572 | 10.1021/jm000151c | SK-MEL-2 | 1 |
Data from ChEMBL 36 via Core Engine