Compound Detail
CHEMBL3823033
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Basic Information
| ChEMBL ID | CHEMBL3823033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXSQXDKHQYMVHI-NMBSHBQSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.44
ALogP
5
HBA
2
HBD
71.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.34 | 4.695 | 4600.0 | 2 |
| MDA-MB-468 CHEMBL614335 | IC50 | 4.04 | 4.04 | 91100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 4600.0 | nM | 5.34 | Antimigratory activity against human MDA-MB-231 cells expressing c-MET assessed ... | 27258622 |
| MDA-MB-231 | IC50 | = | 89900.0 | nM | 4.05 | Antiproliferative activity against human MDA-MB-231 cells expressing c-MET asses... | 27258622 |
| MDA-MB-468 | IC50 | = | 91100.0 | nM | 4.04 | Antiproliferative activity against human MDA-MB-468 cells expressing c-MET asses... | 27258622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27258622 | 10.1016/j.ejmech.2016.04.043 | MDA-MB-231 | 2 |
| 27258622 | 10.1016/j.ejmech.2016.04.043 | Hepatocyte growth factor receptor | 1 |
| 27258622 | 10.1016/j.ejmech.2016.04.043 | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine