Compound Detail
CHEMBL5268029
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Basic Information
| ChEMBL ID | CHEMBL5268029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXAAAGQCWNPJGZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
406.8
MW (Da)
2.68
ALogP
8
HBA
3
HBD
124.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUGC CHEMBL614207 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.28 | 6.28 | 523.0 | 1 |
| HONE1 cell line CHEMBL614830 | IC50 | 6.27 | 6.27 | 536.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUGC | IC50 | = | 55.0 | nM | 7.26 | Anticancer activity against human NUGC cells assessed as cell growth inhibition ... | 35694689 |
| DLD-1 | IC50 | = | 146.0 | nM | 6.84 | Anticancer activity against human DLD-1 cells assessed as cell growth inhibition... | 35694689 |
| WI-38 | IC50 | = | 222.0 | nM | 6.65 | Cytotoxicity against human WI-38 cells assessed as cell growth inhibition incuba... | 35694689 |
| MCF7 | IC50 | = | 285.0 | nM | 6.54 | Anticancer activity against human MCF7 cells assessed as cell growth inhibition ... | 35694689 |
| HepG2 | IC50 | = | 523.0 | nM | 6.28 | Anticancer activity against human HepG2 cells assessed as cell growth inhibition... | 35694689 |
| HONE1 cell line | IC50 | = | 536.0 | nM | 6.27 | Anticancer activity against human HONE1 cell line assessed as cell growth inhibi... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | WI-38 | 2 |
| 35694689 | 10.1039/d2md00076h | NUGC | 1 |
| 35694689 | 10.1039/d2md00076h | DLD-1 | 1 |
| 35694689 | 10.1039/d2md00076h | HepG2 | 1 |
| 35694689 | 10.1039/d2md00076h | HONE1 cell line | 1 |
| 35694689 | 10.1039/d2md00076h | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine