Compound Detail
CHEMBL5428695
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Basic Information
| ChEMBL ID | CHEMBL5428695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUVGYKHBHXIMIM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
5.31
ALogP
7
HBA
2
HBD
81.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
EC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 9.4 | 8.61 | 0.4 | 2 |
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 140.0 | mL.min-1.kg-1 | Mus musculus |
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 | = | 0.4 | nM | 9.4 | Inhibition of full-length human GST-tagged HPK1 expressed in baculovirus infecte... | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of GLK (unknown origin) | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 ph... | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | EC50 | = | 47.0 | nM | 7.33 | Inhibition of human HPK1 in anti-humanCD3/anti-humanCD28 stimulated human CD3-po... | 37531921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37531921 | 10.1016/j.bmc.2023.117423 | Mitogen-activated protein kinase kinase kinase kinase 1 | 3 |
| 37531921 | 10.1016/j.bmc.2023.117423 | ADMET | 2 |
| 37531921 | 10.1016/j.bmc.2023.117423 | Mitogen-activated protein kinase kinase kinase kinase 3 | 1 |
| 37531921 | 10.1016/j.bmc.2023.117423 | Unchecked | 1 |
| 37531921 | 10.1016/j.bmc.2023.117423 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine