Compound Detail
CHEMBL3648426
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Basic Information
| ChEMBL ID | CHEMBL3648426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAAYBVHGHNLLIA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.54 | 6.4467 | 291.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 291.0 | nM | 6.54 | Inhibition Assay: In vitro inhibition assay using various enzyme. | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 291.0 | nM | 6.54 | JAK1 Inhibition Assay: Recombinant human JAK1 catalytic domain (amino acids 850-... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 550.0 | nM | 6.26 | JAK1 Inhibition Assay: Recombinant human JAK1 catalytic domain (amino acids 850-... | - |
Data from ChEMBL 36 via Core Engine