Compound Detail
CHEMBL253881
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
Basic Information
| ChEMBL ID | CHEMBL253881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQQFRBUHZZNTGY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
15
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.61
ALogP
8
HBA
3
HBD
126.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.35 | 7.35 | 45.0 | 2 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 589.12 | ng.hr.mL-1 | Mus musculus |
| CL | 25.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 780.0 | nM | Mus musculus |
| F | 81.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expre... | 18289854 |
| Hepatocyte growth factor receptor | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human c-MET | 21641696 |
| High affinity nerve growth factor receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TrkA | 18289854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Mus musculus | 4 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Unchecked | 2 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Hepatocyte growth factor receptor | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Liver | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | ADMET | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Caco-2 | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Insulin-like growth factor 1 receptor | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Insulin receptor | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Vascular endothelial growth factor receptor 2 | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Cyclin-dependent kinase 2 | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | MAP kinase-activated protein kinase 2 | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Tyrosine-protein kinase Lck | 1 |
| 18289854 | 10.1016/j.bmcl.2008.01.121 | High affinity nerve growth factor receptor | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine