Compound Detail
CHEMBL3651603
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Basic Information
| ChEMBL ID | CHEMBL3651603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZLHQLMJMSXUMH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.41
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.48 | 6.4067 | 334.0 | 3 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.07 | 6.07 | 848.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 334.3 | nM | 6.48 | Inhibition Assay: In vitro inhibition assay using various enzyme. | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 334.0 | nM | 6.48 | 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-... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 848.7 | nM | 6.07 | Inhibition Assay: In vitro inhibition assay using various enzyme. | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 849.0 | nM | 6.07 | JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... | - |
Data from ChEMBL 36 via Core Engine