Compound Detail
CHEMBL4635876
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Basic Information
| ChEMBL ID | CHEMBL4635876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NROLQUCDBSGNQD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
2.95
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.5 | 9.5 | 0.3 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| JAK3/JAK1 CHEMBL3038491 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.3162 | nM | 9.5 | Inhibition of JAK2 (unknown origin) | 32001089 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of JAK3 (unknown origin) | 32001089 |
| JAK3/JAK1 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of JAK1/JAK3 in human PBMC cells assessed as reduction in IL2-induced... | 32001089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32001089 | 10.1016/j.bmc.2020.115326 | Unchecked | 2 |
| 32001089 | 10.1016/j.bmc.2020.115326 | Tyrosine-protein kinase JAK1 | 1 |
| 32001089 | 10.1016/j.bmc.2020.115326 | Tyrosine-protein kinase JAK2 | 1 |
| 32001089 | 10.1016/j.bmc.2020.115326 | Tyrosine-protein kinase JAK3 | 1 |
| 32001089 | 10.1016/j.bmc.2020.115326 | JAK3/JAK1 | 1 |
| 32001089 | 10.1016/j.bmc.2020.115326 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine