Compound Detail
CHEMBL5825528
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Cc1cc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c2c1-c1cccc(-n2c(=O)[nH]c3c(F)cccc3c2=O)c1C
Basic Information
| ChEMBL ID | CHEMBL5825528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMYJNSLWXFSEFZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.06
ALogP
5
HBA
4
HBD
134.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.47 | 9.47 | 0.3 | 3 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.54 | 6.54 | 290.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.34 | nM | 9.47 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.34 | nM | 9.47 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.34 | nM | 9.47 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 290.0 | nM | 6.54 | Jak2 Tyrosine Kinase Assay: Compounds with activity against Jak2 tyrosine kinase... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 290.0 | nM | 6.54 | Tyrosine Kinase Assay: The assays were performed in V-bottom 384-well plates. Th... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 290.0 | nM | 6.54 | Jak2 Tyrosine Kinase Assay: Compounds with activity against Jak2 tyrosine kinase... | - |
Data from ChEMBL 36 via Core Engine