Compound Detail
CHEMBL3655093
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Basic Information
| ChEMBL ID | CHEMBL3655093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVHHNUAYDGGVHF-TXEJJXNPSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.89
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.22 | 8.22 | 6.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.38 | 6.38 | 413.0 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.11 | 6.11 | 770.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 6.0 | nM | 8.22 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 6.0 | nM | 8.22 | Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 413.0 | nM | 6.38 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 413.0 | nM | 6.38 | Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 770.0 | nM | 6.11 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 770.0 | nM | 6.11 | Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p... | - |
Data from ChEMBL 36 via Core Engine