Compound Detail
CHEMBL3665215
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CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](Nc2nc(N3CCN(C)CC3)ncc2-c2cnc3[nH]ccc3n2)C1
Basic Information
| ChEMBL ID | CHEMBL3665215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCRPKZFLZHBPJI-OALUTQOASA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
2.27
ALogP
9
HBA
2
HBD
123.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.08
Ki 1 meas. best 10.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 10.79 | 10.79 | 0.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.08 | 10.08 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | Ki | = | 0.01631 | nM | 10.79 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0838 | nM | 10.08 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
Data from ChEMBL 36 via Core Engine