Compound Detail
CHEMBL432421
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Basic Information
| ChEMBL ID | CHEMBL432421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNCXFXVQUPPSHN-WAYWQWQTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.58
ALogP
5
HBA
0
HBD
49.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Colon 26 CHEMBL614466 | IC50 | 7.72 | 7.72 | 19.2 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Colon 26 | IC50 | = | 19.2 | nM | 7.72 | Cytotoxic activity was determined against Colon 26 adenocarcinoma cells | 9873736 |
| Bos taurus | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity was determined against tubulin polymerization of bovine brai... | 9873736 |
| Tubulin | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873736 | 10.1016/s0960-894x(98)00622-2 | Bos taurus | 1 |
| 9873736 | 10.1016/s0960-894x(98)00622-2 | Colon 26 | 1 |
| - | 10.1007/s00044-012-0327-0 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine