Compound Detail
CHEMBL4108565
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Basic Information
| ChEMBL ID | CHEMBL4108565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLKADAOEZIONGA-YGRLFVJLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
2.73
ALogP
7
HBA
2
HBD
115.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.8 | 9.2167 | 0.2 | 3 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.0 | 8.3833 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.16 | nM | 9.8 | Biochemical HTRF Enzyme Assay Protocol: The basic assay protocol is as follows: ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.2 | nM | 9.7 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.0 | nM | 9.0 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.35 | nM | 8.87 | Biochemical HTRF Enzyme Assay Protocol: The basic assay protocol is as follows: ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7.0 | nM | 8.15 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 52.0 | nM | 7.28 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
Data from ChEMBL 36 via Core Engine