Compound Detail
CHEMBL3642368
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CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCC(N4CCOCC4)CC5)nc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3642368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHFHNVUOAPKMLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
4.12
ALogP
8
HBA
1
HBD
88.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.17 | 6.17 | 670.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.55 | nM | 8.81 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 43.02 | nM | 7.37 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Focal adhesion kinase 1 | IC50 | = | 670.93 | nM | 6.17 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
Data from ChEMBL 36 via Core Engine