Compound Detail
CHEMBL3601719
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Basic Information
| ChEMBL ID | CHEMBL3601719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONBNOLYXWAWMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.73
ALogP
9
HBA
3
HBD
103.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of JAK3 (unknown origin) by Z'-Lyte assay | 26258521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26258521 | 10.1021/acs.jmedchem.5b00710 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine