Compound Detail
CHEMBL3648428
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Basic Information
| ChEMBL ID | CHEMBL3648428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMXIWNGMTSUUHO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.84 | 5.84 | 1450.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.75 | 5.75 | 1760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 1450.0 | nM | 5.84 | Inhibition Assay: In vitro inhibition assay using various enzyme. | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 1450.0 | nM | 5.84 | JAK1 Inhibition Assay: Recombinant human JAK1 catalytic domain (amino acids 850-... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1760.0 | nM | 5.75 | Inhibition Assay: In vitro inhibition assay using various enzyme. | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1760.0 | nM | 5.75 | JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... | - |
Data from ChEMBL 36 via Core Engine