Compound Detail
CHEMBL2024545
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Basic Information
| ChEMBL ID | CHEMBL2024545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCAIISHYJYRITH-SFGFDRCGSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
1.39
ALogP
3
HBA
3
HBD
94.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.38
IC50 1 meas. best 7.33
Kd 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.33 | 7.33 | 46.3 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 42.0 | nM | 7.38 | Cytotoxicity against human HT-29 cells assessed as reduction in cell viability m... | - |
| HT-29 | IC50 | = | 46.3 | nM | 7.33 | Cytotoxicity against human HT-29 cells after 48 hrs using resazurin by microplat... | 22185476 |
| Unchecked | Kd | = | 2500.0 | nM | 5.6 | Binding affinity to bovine tubulin after 1 hr by spectrofluorometric analysis | 22185476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22185476 | 10.1021/jm2009088 | Unchecked | 1 |
| 22185476 | 10.1021/jm2009088 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine