Compound Detail
CHEMBL2001228
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O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL2001228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXXMEMJTLOATRB-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
626.1
MW (Da)
7.14
ALogP
9
HBA
2
HBD
96.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Misshapen-like kinase 1 CHEMBL5518 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine