Compound Detail
CHEMBL3334553
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Basic Information
| ChEMBL ID | CHEMBL3334553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUWFAMFUGQUBJD-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.82
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.02
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | EC50 | 8.0 | 8.0 | 9.9 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.02 | 6.97 | 96.0 | 2 |
| NCI-H1993 CHEMBL1075527 | IC50 | 6.21 | 6.21 | 617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | EC50 | = | 9.9 | nM | 8.0 | Inhibition of c-Met kinase (unknown origin) assessed as decrease in phosphorylat... | 27448775 |
| Hepatocyte growth factor receptor | IC50 | = | 96.0 | nM | 7.02 | Inhibition of c-Met (unknown origin) using Poly E4Y substrate and ATP incubated ... | 25148209 |
| Hepatocyte growth factor receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELIS... | 25148209 |
| NCI-H1993 | IC50 | = | 617.0 | nM | 6.21 | Cytotoxicity against human NCI-H1993 cells assessed as growth inhibition after 7... | 27448775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148209 | 10.1021/jm500510f | Hepatocyte growth factor receptor | 2 |
| 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