Compound Detail
CHEMBL14644
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Basic Information
| ChEMBL ID | CHEMBL14644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHMPNORMVOCNRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
299.7
MW (Da)
3.99
ALogP
4
HBA
1
HBD
51.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin beta chain CHEMBL3394 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin beta chain | IC50 | = | 890.0 | nM | 6.05 | Inhibition of tubulin polymerization | 8164254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164254 | 10.1021/jm00034a010 | Tubulin beta chain | 1 |
| 8164254 | 10.1021/jm00034a010 | Tubulin | 1 |
| 8164254 | 10.1021/jm00034a010 | NCI-H226 | 1 |
| 8164254 | 10.1021/jm00034a010 | HCT-116 | 1 |
| 8164254 | 10.1021/jm00034a010 | OVCAR-3 | 1 |
| 8164254 | 10.1021/jm00034a010 | SK-MEL-5 | 1 |
| 8164254 | 10.1021/jm00034a010 | SF-268 | 1 |
Data from ChEMBL 36 via Core Engine