Compound Detail
CHEMBL4165119
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Basic Information
| ChEMBL ID | CHEMBL4165119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXHQEQPUACOBBC-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.47
ALogP
8
HBA
1
HBD
90.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 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 | 6.3 | 6.3 | 506.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 5.93 | 5.93 | 1171.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.69 | 5.69 | 2055.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.65 | 5.65 | 2242.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.53 | 5.53 | 2970.0 | 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 human GST-tagged c-MET using KKKSPGEYVNIEFG as substrate preincuba... | 29202410 |
| Hepatocyte growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of GST-tagged human c-MET preincubated for 20 mins followed by [33P]-... | 29602036 |
| EBC-1 | IC50 | = | 506.0 | nM | 6.3 | Antiproliferative activity against human EBC1 cells after 72 hrs by Alamarblue a... | 29202410 |
| MKN-45 | IC50 | = | 1171.0 | nM | 5.93 | Antiproliferative activity against human MKN45 cells after 72 hrs by Alamarblue ... | 29202410 |
| NCI-H460 | IC50 | = | 2055.0 | nM | 5.69 | Antiproliferative activity against human NCI-H460 cells after 72 hrs by Alamarbl... | 29202410 |
| COLO 205 | IC50 | = | 2242.0 | nM | 5.65 | Antiproliferative activity against human COLO205 cells after 72 hrs by Alamarblu... | 29202410 |
| PC-3 | IC50 | = | 2970.0 | nM | 5.53 | Antiproliferative activity against human PC3 cells after 72 hrs by Alamarblue as... | 29202410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202410 | 10.1016/j.ejmech.2017.11.073 | Hepatocyte growth factor receptor | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | EBC-1 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | MKN-45 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | NCI-H460 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | PC-3 | 1 |
| 29202410 | 10.1016/j.ejmech.2017.11.073 | COLO 205 | 1 |
| 29602036 | 10.1016/j.ejmech.2018.03.049 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine