Compound Detail
CHEMBL470928
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Basic Information
| ChEMBL ID | CHEMBL470928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSJRNAMTNQXJMP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.31
ALogP
5
HBA
0
HBD
57.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MKN-45 CHEMBL614354 | IC50 | 6.59 | 6.59 | 257.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.43 | 6.43 | 372.0 | 1 |
| KB CHEMBL398 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.38 | 6.38 | 413.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MKN-45 | IC50 | = | 257.0 | nM | 6.59 | Growth inhibition of human MKN45 cells after 72 hrs by methylene blue dye assay | 18588280 |
| KB | IC50 | = | 370.0 | nM | 6.43 | Growth inhibition of human KB cells after 72 hrs by methylene blue dye assay | 18588280 |
| NON-PROTEIN TARGET | IC50 | = | 372.0 | nM | 6.43 | Growth inhibition of P-gp 170/MDR overexpressing human KB-vin10 cells after 72 h... | 18588280 |
| NCI-H460 | IC50 | = | 413.0 | nM | 6.38 | Growth inhibition of human H460 cells after 72 hrs by methylene blue dye assay | 18588280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18588280 | 10.1021/jm800150d | KB | 1 |
| 18588280 | 10.1021/jm800150d | NCI-H460 | 1 |
| 18588280 | 10.1021/jm800150d | MKN-45 | 1 |
| 18588280 | 10.1021/jm800150d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine