Compound Detail
CHEMBL5279559
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Basic Information
| ChEMBL ID | CHEMBL5279559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STOTZBCIRHIDDT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
2.70
ALogP
8
HBA
0
HBD
95.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| KB CHEMBL398 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| HONE1 cell line CHEMBL614830 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human KB cells assessed as cell growth inhibi... | 34101463 |
| HONE1 cell line | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human HONE1 cell line assessed as cell growth... | 34101463 |
| HCT-116 | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human HCT-116 cells assessed as cell growth i... | 34101463 |
| Tubulin | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of tubulin depolymerization (unknown origin) | 34101463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34101463 | 10.1021/acs.jmedchem.1c00100 | KB | 1 |
| 34101463 | 10.1021/acs.jmedchem.1c00100 | Tubulin | 1 |
| 34101463 | 10.1021/acs.jmedchem.1c00100 | HONE1 cell line | 1 |
| 34101463 | 10.1021/acs.jmedchem.1c00100 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine