Compound Detail
CHEMBL4165354
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Basic Information
| ChEMBL ID | CHEMBL4165354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXLRTUDCUYHDLP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.93
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.1 | 6.91 | 79.3 | 2 |
| EBC-1 CHEMBL4296411 | IC50 | 6.97 | 6.97 | 106.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.48 | 5.48 | 3330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 79.3 | nM | 7.1 | Inhibition of GST-tagged human c-MET preincubated for 20 mins followed by [33P]-... | 29602036 |
| EBC-1 | IC50 | = | 106.6 | nM | 6.97 | Antiproliferative activity against human EBC1 cells after 72 hrs by Cell Titer-G... | 29602036 |
| Hepatocyte growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human GST-tagged c-MET using KKKSPGEYVNIEFG as substrate preincuba... | 29202410 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3330.0 | nM | 5.48 | Inhibition of KDR (unknown origin) | 29202410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29602036 | 10.1016/j.ejmech.2018.03.049 | EBC-1 | 3 |
| 29602036 | 10.1016/j.ejmech.2018.03.049 | MKN-45 | 2 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | Hepatocyte growth factor receptor | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | A549 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | HCT-116 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | MCF7 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | PC-3 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | SGC-7901 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | Vascular endothelial growth factor receptor 2 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | Serine/threonine-protein kinase B-raf | 1 |
| 29602036 | 10.1016/j.ejmech.2018.03.049 | SNU-5 | 1 |
| 29602036 | 10.1016/j.ejmech.2018.03.049 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine