Compound Detail
CHEMBL3357978
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 | CHEMBL3357978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKMFTSBBYPXJFT-NSHDSACASA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.25
ALogP
7
HBA
2
HBD
116.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.44
Ki 1 meas. best 10.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 10.61 | 10.61 | 0.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.44 | 8.94 | 0.0 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 10.31 | 8.94 | 0.0 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.89 | 6.89 | 129.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | Ki | = | 0.02468 | nM | 10.61 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0359 | nM | 10.44 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.04936 | nM | 10.31 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 129.0 | nM | 6.89 | Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK3 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK2 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine