Compound Detail
CHEMBL3335690
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Basic Information
| ChEMBL ID | CHEMBL3335690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAZJNLNOQXQFPU-HNNXBMFYSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
3.27
ALogP
6
HBA
2
HBD
103.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.61
EC50 3 meas. best 7.04
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.61 | 9.115 | 0.0 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| JAK3/JAK1 CHEMBL3038491 | EC50 | 7.04 | 7.04 | 92.0 | 1 |
| JAK2/JAK1 CHEMBL3038492 | EC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.43 | 5.43 | 3690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0245 | nM | 10.61 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| JAK3/JAK1 | EC50 | = | 92.0 | nM | 7.04 | Inhibition of JAK3/JAK1 in human PBMC expressing CD3 assessed as inhibition of I... | 25262541 |
| JAK2/JAK1 | EC50 | = | 1390.0 | nM | 5.86 | Inhibition of JAK2/JAK1 in human PBMC expressing CD14 assessed as inhibition of ... | 25262541 |
| Tyrosine-protein kinase JAK2 | EC50 | = | 3690.0 | nM | 5.43 | Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CS... | 25262541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK2 | 2 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK3 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK1 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | JAK3/JAK1 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | JAK2/JAK1 | 1 |
Data from ChEMBL 36 via Core Engine