Compound Detail
CHEMBL3642339
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CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3642339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUPOSILMRHPRKX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
2.77
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.52 | 7.52 | 30.3 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 5.83 | 5.83 | 1478.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.75 | nM | 9.12 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 30.27 | nM | 7.52 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Focal adhesion kinase 1 | IC50 | = | 1477.99 | nM | 5.83 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
Data from ChEMBL 36 via Core Engine