Compound Detail
CHEMBL1287910
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Basic Information
| ChEMBL ID | CHEMBL1287910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDUDLSAXSTVEQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
2.27
ALogP
7
HBA
3
HBD
123.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 610.0 | nM | 6.21 | Inhibition of human recombinant JAK1 by TR-FRET assay | 21106455 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of human recombinant TYK2 by TR-FRET assay | 21106455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21106455 | 10.1016/j.bmcl.2010.10.026 | Tyrosine-protein kinase JAK1 | 1 |
| 21106455 | 10.1016/j.bmcl.2010.10.026 | Tyrosine-protein kinase JAK2 | 1 |
| 21106455 | 10.1016/j.bmcl.2010.10.026 | Tyrosine-protein kinase JAK3 | 1 |
| 21106455 | 10.1016/j.bmcl.2010.10.026 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine