Compound Detail
CHEMBL3920570
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Basic Information
| ChEMBL ID | CHEMBL3920570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHNNIAOQBFGXHB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
4.25
ALogP
7
HBA
3
HBD
121.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 10.0 | 8.91 | 0.1 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.7 | 7.53 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.1 | nM | 10.0 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2.0 | nM | 8.7 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 15.0 | nM | 7.82 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 440.0 | nM | 6.36 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
Data from ChEMBL 36 via Core Engine