Compound Detail
CHEMBL2206058
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Basic Information
| ChEMBL ID | CHEMBL2206058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQHKHGHDPGFXAV-SUNKGSAMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
2.32
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Ki 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 3.8 | nM | 8.42 | Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-car... | 23107482 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 160.0 | nM | 6.8 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23107482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Tyrosine-protein kinase JAK1 | 3 |
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine