Compound Detail
CHEMBL4587451
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Basic Information
| ChEMBL ID | CHEMBL4587451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INZRTZKUXIIXQH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.15
ALogP
8
HBA
1
HBD
94.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.38
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
| NCI-H1993 CHEMBL1075527 | IC50 | 6.14 | 6.14 | 726.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | EC50 | = | 4.2 | nM | 8.38 | Inhibition of c-Met kinase (unknown origin) assessed as decrease in phosphorylat... | 27448775 |
| NCI-H1993 | IC50 | = | 726.2 | nM | 6.14 | Cytotoxicity against human NCI-H1993 cells assessed as growth inhibition after 7... | 27448775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448775 | 10.1016/j.bmc.2016.07.019 | Hepatocyte growth factor receptor | 1 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | NCI-H1993 | 1 |
Data from ChEMBL 36 via Core Engine