Compound Detail
CHEMBL78844
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Basic Information
| ChEMBL ID | CHEMBL78844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKWFKECYXRUOES-IFWOZUGISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.40
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2111464 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 970.0 | nM | 6.01 | Inhibition of polymerization of purified bovine tubulin | 10882369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882369 | 10.1021/jm0001119 | Tubulin | 2 |
| 10882369 | 10.1021/jm0001119 | Cell line | 1 |
Data from ChEMBL 36 via Core Engine