Compound Detail
CHEMBL3665182
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CC(C)CS(=O)(=O)N1CCC[C@H](Nc2nc(S(C)(=O)=O)ncc2-c2cnc3[nH]ccc3n2)C1
Basic Information
| ChEMBL ID | CHEMBL3665182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMPSLOLOVXFPCR-AWEZNQCLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
1.68
ALogP
9
HBA
2
HBD
150.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.19
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.19 | 10.19 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0646 | nM | 10.19 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
Data from ChEMBL 36 via Core Engine