Compound Detail
CHEMBL330174
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Basic Information
| ChEMBL ID | CHEMBL330174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDJLIGJPLSPVAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
5.29
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2111354 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of tubulin polymerization in porcine brain | 16870433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759624 | 10.1021/jm960284r | Tumor necrosis factor | 4 |
| 9288167 | 10.1021/jm970109q | HL-60 | 2 |
| 16870433 | 10.1016/j.bmcl.2006.06.091 | Tubulin | 2 |
| 9288167 | 10.1021/jm970109q | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine