Compound Detail
CHEMBL3781427
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Basic Information
| ChEMBL ID | CHEMBL3781427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBRHDDZHTWVOFL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.51
ALogP
4
HBA
3
HBD
82.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of JAK1 (unknown origin) | 26927423 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of JAK2 (unknown origin) | 26927423 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of TYK2 (unknown origin) | 26927423 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of JAK3 (unknown origin) | 26927423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26927423 | 10.1016/j.bmcl.2016.02.035 | Tyrosine-protein kinase JAK1 | 1 |
| 26927423 | 10.1016/j.bmcl.2016.02.035 | Unchecked | 1 |
| 26927423 | 10.1016/j.bmcl.2016.02.035 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 26927423 | 10.1016/j.bmcl.2016.02.035 | Tyrosine-protein kinase JAK3 | 1 |
| 26927423 | 10.1016/j.bmcl.2016.02.035 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine