Compound Detail
CHEMBL3782012
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3782012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUZHLPAZMODXTH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.48
ALogP
7
HBA
2
HBD
116.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of JAK1 (unknown origin) | 26927423 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of TYK2 (unknown origin) | 26927423 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of JAK2 (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