Compound Detail
CHEMBL4089568
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Basic Information
| ChEMBL ID | CHEMBL4089568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWHKELQTXFZQSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.29
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 19.0 | nM | 7.72 | Inhibition of TYK2 (unknown origin) by biochemical assay | 28830649 |
| Tyrosine-protein kinase JAK2 | Ki | = | 2100.0 | nM | 5.68 | Inhibition of JAK2 (unknown origin) by biochemical assay | 28830649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28830649 | 10.1016/j.bmcl.2017.08.022 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 28830649 | 10.1016/j.bmcl.2017.08.022 | Tyrosine-protein kinase JAK2 | 1 |
| 28830649 | 10.1016/j.bmcl.2017.08.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine