Compound Detail
CHEMBL1287883
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Basic Information
| ChEMBL ID | CHEMBL1287883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VABBNZZMPROWAP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
1.22
ALogP
8
HBA
3
HBD
146.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 19.0 | nM | 7.72 | 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 | = | 1250.0 | nM | 5.9 | Inhibition of human recombinant JAK3 by TR-FRET assay | 21106455 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2500.0 | nM | 5.6 | 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