Compound Detail
CHEMBL452965
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
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(CC(=O)O)CC4)cc3)ncc2c1=O
Basic Information
| ChEMBL ID | CHEMBL452965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZGGGZSDTNTLQN-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
3.57
ALogP
9
HBA
3
HBD
138.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.2 | nM | 8.66 | Inhibition of Fms by fluorescence polarization competition immunoassay | 19193011 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 13.0 | nM | 7.89 | Inhibition of KIT by fluorescence polarization competition immunoassay | 19193011 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox... | 19193011 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of FLT3 by fluorescence polarization competition immunoassay | 19193011 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 930.0 | nM | 6.03 | Inhibition of Src by fluorescence polarization competition immunoassay | 19193011 |
| Insulin receptor | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of IRKbeta by fluorescence polarization competition immunoassay | 19193011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19193011 | 10.1021/jm801406h | Rattus norvegicus | 4 |
| 19193011 | 10.1021/jm801406h | Macrophage colony-stimulating factor 1 receptor | 2 |
| 19193011 | 10.1021/jm801406h | Liver microsomes | 2 |
| 19193011 | 10.1021/jm801406h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 19193011 | 10.1021/jm801406h | Mast/stem cell growth factor receptor Kit | 1 |
| 19193011 | 10.1021/jm801406h | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19193011 | 10.1021/jm801406h | Insulin receptor | 1 |
| 19193011 | 10.1021/jm801406h | Tyrosine-protein kinase receptor UFO | 1 |
| 19193011 | 10.1021/jm801406h | High affinity nerve growth factor receptor | 1 |
| 19193011 | 10.1021/jm801406h | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine