Compound Detail
CHEMBL5747771
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C=CC(=O)N1C[C@H](Nc2nc(Nc3cnn(CC)c3)nc3[nH]cc(Cl)c23)CC[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL5747771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXXVDKLLEOTZPM-QWHCGFSZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
3.55
ALogP
7
HBA
3
HBD
103.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.3 | nM | 9.52 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
Data from ChEMBL 36 via Core Engine