Compound Detail
CHEMBL3786610
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Basic Information
| ChEMBL ID | CHEMBL3786610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPXSVFZZGSCDDM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.24
ALogP
8
HBA
0
HBD
79.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 3.8 | nM | 8.42 | Inhibition of recombinant c-MET (unknown origin) using poly (Glu,Tyr) 4:1 as sub... | 27017548 |
| NON-PROTEIN TARGET | IC50 | = | 120.0 | nM | 6.92 | Cytotoxicity against human EBC1 cells assessed as inhibition of cell proliferati... | 27017548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27017548 | 10.1016/j.ejmech.2016.03.027 | NON-PROTEIN TARGET | 1 |
| 27017548 | 10.1016/j.ejmech.2016.03.027 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine