Compound Detail
CHEMBL5828706
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Cc1cnc(Nc2cccc(S(C)(=O)=O)c2F)nc1-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12
Basic Information
| ChEMBL ID | CHEMBL5828706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLJCXGVRKJIAQZ-RBUKOAKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
4.18
ALogP
8
HBA
3
HBD
123.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.31 | 7.31 | 48.6 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 48.6 | nM | 7.31 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 25300.0 | nM | 4.6 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
Data from ChEMBL 36 via Core Engine