Compound Detail
CHEMBL3650985
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Basic Information
| ChEMBL ID | CHEMBL3650985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJPHKVOXHRAPGJ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.32
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.82 | 9.3467 | 0.1 | 3 |
| Tyrosine-protein kinase JAK1/JAK3 CHEMBL3885650 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| JAK3/JAK1 CHEMBL3038491 | IC50 | 6.55 | 5.92 | 280.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.15 | nM | 9.82 | HTRF Assay: The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.15 | nM | 9.82 | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to 1124 residues... | 28844493 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 4.0 | nM | 8.4 | HTRF Assay: The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3... | - |
| Tyrosine-protein kinase JAK1/JAK3 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of JAK3/JAK1 in mouse CTLL-2 cells assessed as reduction in IL2-stimu... | 28844493 |
| JAK3/JAK1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of JAK1/JAK3 in human PBMC CD3+/CD8+ T cells assessed as reduction in... | 28844493 |
| JAK3/JAK1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of JAK1/JAK3 in human whole blood CD3+/CD4+ T cells assessed as reduc... | 28844493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28844493 | 10.1016/j.bmcl.2017.07.079 | Unchecked | 3 |
| 28844493 | 10.1016/j.bmcl.2017.07.079 | JAK3/JAK1 | 2 |
| 28844493 | 10.1016/j.bmcl.2017.07.079 | Tyrosine-protein kinase JAK3 | 1 |
| 28844493 | 10.1016/j.bmcl.2017.07.079 | Tyrosine-protein kinase JAK1/JAK3 | 1 |
| 28844493 | 10.1016/j.bmcl.2017.07.079 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine