Compound Detail
CHEMBL4106834
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CC(C)(C)OC(=O)N1CC[C@](CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](F)C1
Basic Information
| ChEMBL ID | CHEMBL4106834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBBZLXMPUULIGG-VGSWGCGISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
3.45
ALogP
7
HBA
2
HBD
126.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.05 | nM | 10.3 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.2 | nM | 9.7 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
Data from ChEMBL 36 via Core Engine