Compound Detail
CHEMBL205098
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Basic Information
| ChEMBL ID | CHEMBL205098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YENZSPIOXMNEFF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.58
ALogP
8
HBA
1
HBD
83.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.7 | 6.69 | 200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shif... | 20172718 |
| Focal adhesion kinase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against FAK | 16458503 |
| Focal adhesion kinase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay | 34324343 |
| Focal adhesion kinase 1 | IC50 | = | 212.0 | nM | 6.67 | Inhibition of FAK | 16524731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16458503 | 10.1016/j.bmcl.2006.01.053 | Focal adhesion kinase 1 | 1 |
| 16524731 | 10.1016/j.bmcl.2006.02.032 | Focal adhesion kinase 1 | 1 |
| 20172718 | 10.1016/j.bmcl.2010.01.151 | Tyrosine-protein kinase JAK2 | 1 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine