Compound Detail
CHEMBL3417493
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CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(C(F)(F)F)cc43)ccc2=O)c1
Basic Information
| ChEMBL ID | CHEMBL3417493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYVBCENNCHPDSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
5.14
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 85.0 | nM | 7.07 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substra... | 25827399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25827399 | 10.1016/j.ejmech.2015.03.041 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine