Compound Detail
CHEMBL438696
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Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12
Basic Information
| ChEMBL ID | CHEMBL438696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTJJQWUFSHDXIN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
4.33
ALogP
8
HBA
2
HBD
110.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expre... | 18289854 |
| Hepatocyte growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human c-MET | 21641696 |
| NON-PROTEIN TARGET | IC50 | = | 68.0 | nM | 7.17 | Antiproliferative activity against human GTL16 cells after 72 hrs by tetrazolium... | 18289854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Hepatocyte growth factor receptor | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | NON-PROTEIN TARGET | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine