Compound Detail
CHEMBL2037208
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O=C1Nc2cc(Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
Basic Information
| ChEMBL ID | CHEMBL2037208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMMBZLXOFKQWRQ-UCQKPKSFSA-N |
27
Targets
31
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
6.52
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 31 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL2034798 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.64 | 7.15 | 23.0 | 4 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2034799 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL5961 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL2034797 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2034801 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Ephrin type-A receptor 3 CHEMBL2034794 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3074 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL2034802 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL5381 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Insulin receptor CHEMBL3187 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL1795170 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL5771 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL4066 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6400.0 | 2 |
| Tyrosine-protein kinase Lyn CHEMBL2258 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL2034793 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Tyrosine-protein kinase receptor Tie-1 CHEMBL2034800 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL2034796 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL5585 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900443 | 10.1021/ml200261d | NON-PROTEIN TARGET | 4 |
| 24900443 | 10.1021/ml200261d | Unchecked | 2 |
| 24900443 | 10.1021/ml200261d | Mitogen-activated protein kinase 9 | 1 |
| 24900443 | 10.1021/ml200261d | Fibroblast growth factor receptor 3 | 1 |
| 24900443 | 10.1021/ml200261d | Fibroblast growth factor receptor 4 | 1 |
| 24900443 | 10.1021/ml200261d | Tyrosine-protein kinase Fgr | 1 |
| 24900443 | 10.1021/ml200261d | Vascular endothelial growth factor receptor 1 | 1 |
| 24900443 | 10.1021/ml200261d | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 24900443 | 10.1021/ml200261d | Macrophage colony-stimulating factor 1 receptor | 1 |
| 24900443 | 10.1021/ml200261d | Insulin-like growth factor 1 receptor | 1 |
| 24900443 | 10.1021/ml200261d | Insulin receptor | 1 |
| 24900443 | 10.1021/ml200261d | Proto-oncogene tyrosine-protein kinase ROS | 1 |
| 24900443 | 10.1021/ml200261d | Mast/stem cell growth factor receptor Kit | 1 |
| 24900443 | 10.1021/ml200261d | Hepatocyte growth factor receptor | 1 |
| 24900443 | 10.1021/ml200261d | Tyrosine-protein kinase Lyn | 1 |
| 24900443 | 10.1021/ml200261d | Platelet-derived growth factor receptor beta | 1 |
| 24900443 | 10.1021/ml200261d | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 24900443 | 10.1021/ml200261d | Macrophage-stimulating protein receptor | 1 |
| 24900443 | 10.1021/ml200261d | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 24900443 | 10.1021/ml200261d | Tyrosine-protein kinase receptor Tie-1 | 1 |
Data from ChEMBL 36 via Core Engine