Compound Detail
CHEMBL3335684
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Basic Information
| ChEMBL ID | CHEMBL3335684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBOHKFPSDBFHCW-NSHDSACASA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.28
ALogP
5
HBA
3
HBD
120.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.67
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| JAK3/JAK1 CHEMBL3038491 | EC50 | 6.67 | 6.67 | 214.0 | 1 |
| JAK2/JAK1 CHEMBL3038492 | EC50 | 5.54 | 5.54 | 2865.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.4 | 5.4 | 3995.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| JAK3/JAK1 | EC50 | = | 214.0 | nM | 6.67 | Inhibition of JAK3/JAK1 in human PBMC expressing CD3 assessed as inhibition of I... | 25262541 |
| JAK2/JAK1 | EC50 | = | 2865.0 | nM | 5.54 | Inhibition of JAK2/JAK1 in human PBMC expressing CD14 assessed as inhibition of ... | 25262541 |
| Tyrosine-protein kinase JAK2 | EC50 | = | 3995.0 | nM | 5.4 | 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