Compound Detail
CHEMBL4645014
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Basic Information
| ChEMBL ID | CHEMBL4645014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVRZWPSRZFJAPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
547.7
MW (Da)
6.17
ALogP
9
HBA
2
HBD
88.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues)... | 31866272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31866272 | 10.1016/j.bmc.2019.115254 | Tyrosine-protein kinase JAK3 | 1 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Tyrosine-protein kinase BTK | 1 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine