Compound Detail
CHEMBL3642287
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Basic Information
| ChEMBL ID | CHEMBL3642287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEAVKJXAAKWVEK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.35
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.46 | 7.46 | 34.6 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.25 | 6.25 | 568.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.1 | nM | 8.96 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 34.6 | nM | 7.46 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Focal adhesion kinase 1 | IC50 | = | 568.8 | nM | 6.25 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
Data from ChEMBL 36 via Core Engine