Compound Detail
CHEMBL5555917
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Basic Information
| ChEMBL ID | CHEMBL5555917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTTUTRXPNFTTPC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.05
ALogP
5
HBA
1
HBD
57.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 8.14 | 7.075 | 7.2 | 2 |
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 7.99 | 7.99 | 10.2 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 846.83 | ng.hr.mL-1 | Rattus norvegicus |
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 | = | 7.19 | nM | 8.14 | Inhibition of HPK1 (unknown origin) preincubated for 10 mins followed by ATP add... | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 10.22 | nM | 7.99 | Inhibition of GLK (unknown origin) | 38350360 |
| Tyrosine-protein kinase Lck | IC50 | = | 13.24 | nM | 7.88 | Inhibition of LCK (unknown origin) | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 977.7 | nM | 6.01 | Inhibition of HPK1 in human Jurkat cells assessed as decrease in SLP-76 phosphor... | 38350360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38350360 | 10.1016/j.ejmech.2024.116206 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | Mitogen-activated protein kinase kinase kinase kinase 3 | 1 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | Tyrosine-protein kinase Lck | 1 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine