Compound Detail
CHEMBL5208026
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C#CCCN(C)CCN(C)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)n2)cc1NC(=O)C=C
Basic Information
| ChEMBL ID | CHEMBL5208026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGEXLYVTDJOXRE-OQUNMALSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.1
MW (Da)
2.95
ALogP
10
HBA
2
HBD
110.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of GST tagged recombinant human JAK3 expressed in baculovirus infecti... | 35860875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35860875 | 10.1021/acs.jmedchem.2c00922 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine