Compound Detail
CHEMBL5952113
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Basic Information
| ChEMBL ID | CHEMBL5952113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRUFFDAPSGAZIL-HAQNSBGRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
4.60
ALogP
5
HBA
2
HBD
99.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.2 | nM | 9.7 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 3.7 | nM | 8.43 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 5.5 | nM | 8.26 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 121.0 | nM | 6.92 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
Data from ChEMBL 36 via Core Engine