Compound Detail
CHEMBL3622831
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Basic Information
| ChEMBL ID | CHEMBL3622831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNDFGHNETHKRJK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.07
ALogP
4
HBA
2
HBD
86.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LY... | 26351728 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Unchecked | 3 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK1 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK2 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK3 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine