Compound Detail
CHEMBL4634073
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COC(=O)Nc1ccc(-c2c(OC3CCN(C)CC3)nc3c(-c4ccc(OC)c(OC)c4)cnn3c2N)cc1
Basic Information
| ChEMBL ID | CHEMBL4634073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKYJKXMPIDEQFF-UHFFFAOYSA-N |
31
Targets
32
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.31
ALogP
10
HBA
2
HBD
125.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 32 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET CHEMBL3430888 | IC50 | 8.22 | 7.97 | 6.0 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) CHEMBL2111387 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 2 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Tyrosine-protein kinase ZAP-70 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | BaF3 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Mast/stem cell growth factor receptor Kit | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Vascular endothelial growth factor receptor 2 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Tyrosine-protein kinase JAK2 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Insulin receptor | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Insulin-like growth factor 1 receptor | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Vascular endothelial growth factor receptor 1 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Tyrosine-protein kinase Fgr | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Fibroblast growth factor receptor 4 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Fibroblast growth factor receptor 3 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Fibroblast growth factor receptor 2 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Fibroblast growth factor receptor 1 | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Tyrosine-protein kinase Blk | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Bcr/Abl fusion protein | 1 |
Data from ChEMBL 36 via Core Engine