Compound Detail
CHEMBL5558965
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Basic Information
| ChEMBL ID | CHEMBL5558965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMAUMVSVAGABRF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
62.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.04
IC50 1 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 8.69 | 8.69 | 2.1 | 1 |
| Interleukin-2 CHEMBL5880 | EC50 | 7.04 | 7.04 | 90.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 2.06 | nM | 8.69 | Inhibition of HPK1 (unknown origin) preincubated for 10 mins followed by ATP add... | 38350360 |
| Interleukin-2 | EC50 | = | 90.4 | nM | 7.04 | Activation of IL-2 in human Jurkat cells incubated for 24 hrs by ELISA | 38350360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38350360 | 10.1016/j.ejmech.2024.116206 | Interleukin-2 | 2 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | Mitogen-activated protein kinase kinase kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine