Compound Detail
CHEMBL524364
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O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(-c4cccnc4)c23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL524364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHRODYLKVZIFSW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
5.59
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.7 | 8.7 | 2.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 16982.32 | ng.hr.mL-1 | Mus musculus |
| Cmax | 6000.0 | nM | Mus musculus |
| Tmax | 4.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Met kinase | 18479916 |
| Hepatocyte growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of c-Met (unknown origin) | 24792774 |
| NON-PROTEIN TARGET | IC50 | = | 20.0 | nM | 7.7 | Antiproliferative activity against human GTL16 cells | 18479916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479916 | 10.1016/j.bmcl.2008.04.047 | NON-PROTEIN TARGET | 3 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | Mus musculus | 3 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | Hepatocyte growth factor receptor | 1 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | Liver microsomes | 1 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | ADMET | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
| 24792774 | 10.1016/j.ejmech.2014.04.056 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine