Compound Detail
CHEMBL3665137
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Basic Information
| ChEMBL ID | CHEMBL3665137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKIGZOJXNGMDHT-GFCCVEGCSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.44
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.07
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 10.07 | 10.07 | 0.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.71 | 9.71 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.0847 | nM | 10.07 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.09995 | nM | 10.0 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.1948 | nM | 9.71 | Inhibition Assay: The kinase activity of all three JAK kinases is measured using... | - |
Data from ChEMBL 36 via Core Engine