Compound Detail
CHEMBL2298916
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Basic Information
| ChEMBL ID | CHEMBL2298916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYNUEGJOUPCWKD-YHDXSUECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.71
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0327-0 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine