Compound Detail
CHEMBL3647967
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C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL3647967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSDFTYWIYVWCIE-KDURUIRLSA-N |
20
Targets
59
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.65
ALogP
7
HBA
2
HBD
108.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 59 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 9.7 | 9.7 | 0.2 | 2 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 9.4 | 9.4 | 0.4 | 2 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.24 | 9.08 | 0.6 | 6 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 9.1 | 9.1 | 0.8 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 9.0 | 9.0 | 1.0 | 8 |
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 8.96 | 8.96 | 1.1 | 2 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 8.62 | 8.62 | 2.4 | 2 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 8.49 | 7.5967 | 3.2 | 6 |
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 8.48 | 8.48 | 3.3 | 2 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 8.15 | 8.15 | 7.1 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.84 | 7.84 | 14.3 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.69 | 7.69 | 20.6 | 4 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.49 | 7.49 | 32.3 | 2 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 6.97 | 6.97 | 108.0 | 2 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 6.04 | 6.04 | 909.9 | 4 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.81 | 5.81 | 1536.0 | 1 |
| Tyrosine-protein kinase Fer CHEMBL3982 | IC50 | 5.47 | 5.47 | 3346.0 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.08 | 5.08 | 8278.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine