Compound Detail
CHEMBL5190121
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Basic Information
| ChEMBL ID | CHEMBL5190121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJVAIGFWJQMAMO-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.76
ALogP
6
HBA
0
HBD
49.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.06 | 7.06 | 86.7 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.29 | 5.29 | 5160.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.7 | nM | 7.97 | Inhibition of bovine microtubule-associated protein-rich tubulin polymerization | 38823265 |
| Epidermal growth factor receptor | IC50 | = | 86.7 | nM | 7.06 | Inhibition of EGFR (unknown origin) by microplate reader | 35311289 |
| Epidermal growth factor receptor | IC50 | = | 86.7 | nM | 7.06 | Inhibition of GST-tagged EGFR (unknown origin) | 38823265 |
| HepG2 | IC50 | = | 1300.0 | nM | 5.89 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 38823265 |
| HCT-116 | IC50 | = | 3360.0 | nM | 5.47 | Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... | 38823265 |
| MCF7 | IC50 | = | 5160.0 | nM | 5.29 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | 38823265 |
| Tubulin | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of tubulin polymerization (unknown origin) by measuring absorbance | 35311289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Epidermal growth factor receptor | 1 |
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Tubulin | 1 |
| 38823265 | 10.1016/j.ejmech.2024.116543 | HepG2 | 1 |
| 38823265 | 10.1016/j.ejmech.2024.116543 | MCF7 | 1 |
| 38823265 | 10.1016/j.ejmech.2024.116543 | HCT-116 | 1 |
| 38823265 | 10.1016/j.ejmech.2024.116543 | Epidermal growth factor receptor | 1 |
| 38823265 | 10.1016/j.ejmech.2024.116543 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine