Compound Detail
CHEMBL479930
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Basic Information
| ChEMBL ID | CHEMBL479930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRPSZFOOVPYQFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.14
ALogP
7
HBA
0
HBD
76.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5000.0 | nM | 5.3 | Growth inhibition of P-gp 170/MDR overexpressing human KB-vin10 cells after 72 h... | 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