Compound Detail
CHEMBL3334552
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Basic Information
| ChEMBL ID | CHEMBL3334552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLJLWGBRXYDTGG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
1.97
ALogP
9
HBA
1
HBD
115.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.1 | 8.075 | 8.0 | 2 |
| NCI-H441 CHEMBL1075542 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELIS... | 25148209 |
| Hepatocyte growth factor receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of c-Met (unknown origin) using Poly E4Y substrate and ATP incubated ... | 25148209 |
| NCI-H441 | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human NCI-H441 cells assessed as HGF-induced ... | 25148209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148209 | 10.1021/jm500510f | Hepatocyte growth factor receptor | 3 |
| 25148209 | 10.1021/jm500510f | NCI-H441 | 1 |
| 25148209 | 10.1021/jm500510f | Liver | 1 |
| 25148209 | 10.1021/jm500510f | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine