Compound Detail
CHEMBL140654
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Basic Information
| ChEMBL ID | CHEMBL140654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORYPWNNOYGLZJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.09
ALogP
8
HBA
2
HBD
86.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of tubulin polymerization using bovine brain tubulin | 11741468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741468 | 10.1021/jm010451+ | U-937 | 1 |
| 11741468 | 10.1021/jm010451+ | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine