Compound Detail
CHEMBL3665131
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Basic Information
| ChEMBL ID | CHEMBL3665131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNDQNBFQNOZWQD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.25
ALogP
6
HBA
2
HBD
103.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.68
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.68 | 10.68 | 0.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 10.01 | 10.01 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0209 | nM | 10.68 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.05062 | nM | 10.3 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.09868 | nM | 10.01 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
Data from ChEMBL 36 via Core Engine