Compound Detail
CHEMBL3758865
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CN(C)C(=O)c1ccc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cnn(C)c5)cn4)c3)n2)cc1F
Basic Information
| ChEMBL ID | CHEMBL3758865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNVDPMGYCGHTPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
3.73
ALogP
9
HBA
1
HBD
110.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.8 | 7.8 | 15.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 15.9 | nM | 7.8 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs... | 26698536 |
| NON-PROTEIN TARGET | IC50 | = | 102.0 | nM | 6.99 | Antiproliferative activity against human EBC1 cells after 72 hrs by SRB assay | 26698536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26698536 | 10.1016/j.ejmech.2015.11.042 | Hepatocyte growth factor receptor | 1 |
| 26698536 | 10.1016/j.ejmech.2015.11.042 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine