Compound Detail
CHEMBL3823798
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3823798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMIUNMVIHWNVOI-TWGQIWQCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.22
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.21 | 5.15 | 6200.0 | 2 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 6200.0 | nM | 5.21 | Antimigratory activity against human MDA-MB-231 cells expressing c-MET assessed ... | 27258622 |
| MDA-MB-231 | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity against human MDA-MB-231 cells expressing c-MET asses... | 27258622 |
| MDA-MB-468 | IC50 | = | 9900.0 | nM | 5.0 | 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 |
| 27258622 | 10.1016/j.ejmech.2016.04.043 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine