Compound Detail
CHEMBL3417485
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CN1CCN(CCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3417485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOMBPSFJZNDVJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
3.46
ALogP
9
HBA
0
HBD
81.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substra... | 25827399 |
| NON-PROTEIN TARGET | IC50 | = | 130.0 | nM | 6.89 | Inhibition of cell proliferation of human EBC1 cells after 72 hrs by SRB assay | 25827399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25827399 | 10.1016/j.ejmech.2015.03.041 | Hepatocyte growth factor receptor | 1 |
| 25827399 | 10.1016/j.ejmech.2015.03.041 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine