Compound Detail
CHEMBL5270221
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Basic Information
| ChEMBL ID | CHEMBL5270221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGZKKYMEBFZCMM-LREOWRDNSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.2
MW (Da)
3.12
ALogP
2
HBA
1
HBD
66.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.25 | 7.25 | 55.9 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 6.4 | 6.4 | 399.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 9.4 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 55.9 | nM | 7.25 | Inhibition of JAK3 (unknown origin) incubated for 45 mins by LC-MS/MS analysis | 32971426 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 399.0 | nM | 6.4 | Inhibition of RSK2 (unknown origin) at 100 uM preincubated for 1 hr followed by ... | 32971426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32971426 | 10.1016/j.ejmech.2020.112836 | Tyrosine-protein kinase JAK3 | 4 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | No relevant target | 3 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Maternal embryonic leucine zipper kinase | 2 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Tyrosine-protein kinase BTK | 1 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Mitogen-activated protein kinase 1 | 1 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine