Compound Detail
CHEMBL5988398
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Basic Information
| ChEMBL ID | CHEMBL5988398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMUVVVFKYFIGGE-UONOGXRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
2.90
ALogP
7
HBA
3
HBD
103.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.4 | nM | 9.4 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.3 | nM | 8.89 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
Data from ChEMBL 36 via Core Engine