Compound Detail
CHEMBL4111202
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Basic Information
| ChEMBL ID | CHEMBL4111202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIDPOMLEFGYTEC-OTYXRUKQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
3.13
ALogP
6
HBA
2
HBD
106.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.68 | 8.13 | 2.1 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.63 | 7.12 | 23.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.09 | nM | 8.68 | Biochemical HTRF Enzyme Assay Protocol: The basic assay protocol is as follows: ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 23.4 | nM | 7.63 | Biochemical HTRF Enzyme Assay Protocol: The basic assay protocol is as follows: ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 26.0 | nM | 7.58 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 245.0 | nM | 6.61 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
Data from ChEMBL 36 via Core Engine