Compound Detail
CHEMBL1288001
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Basic Information
| ChEMBL ID | CHEMBL1288001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJAICIVAVSHFRM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.64
ALogP
7
HBA
2
HBD
89.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human recombinant JAK1 by TR-FRET assay | 21106455 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human recombinant TYK2 by TR-FRET assay | 21106455 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant JAK3 by TR-FRET assay | 21106455 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant JAK2 by TR-FRET assay | 21106455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21106455 | 10.1016/j.bmcl.2010.10.026 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine