Compound Detail
CHEMBL2037220
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CN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4cc(C(=O)O)c[nH]4)c3)cc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL2037220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWZMHIPXROINAE-NTFVMDSBSA-N |
15
Targets
18
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
630.6
MW (Da)
5.97
ALogP
6
HBA
5
HBD
129.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.52 | 7.64 | 3.0 | 4 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL2034798 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2034799 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL5961 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Ephrin type-A receptor 3 CHEMBL2034794 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL2034796 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL2034797 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL2034795 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Tyrosine-protein kinase receptor Tie-1 CHEMBL2034800 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL2034802 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL5771 | IC50 | 5.06 | 5.06 | 8800.0 | 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 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 24900443 | 10.1021/ml200261d | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 24900443 | 10.1021/ml200261d | Ephrin type-A receptor 3 | 1 |
| 24900443 | 10.1021/ml200261d | Ephrin type-B receptor 2 | 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 | Proto-oncogene tyrosine-protein kinase ROS | 1 |
| 24900443 | 10.1021/ml200261d | Insulin-like growth factor 1 receptor | 1 |
| 24900443 | 10.1021/ml200261d | Insulin receptor | 1 |
| 24900443 | 10.1021/ml200261d | Mitogen-activated protein kinase 9 | 1 |
| 24900443 | 10.1021/ml200261d | Mast/stem cell growth factor receptor Kit | 1 |
| 24900443 | 10.1021/ml200261d | Tyrosine-protein kinase Lyn | 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 |
Data from ChEMBL 36 via Core Engine