Compound Detail
CHEMBL5424617
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Basic Information
| ChEMBL ID | CHEMBL5424617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWFMUUASEIUTAN-SMDDNHRTSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
3.47
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | Ki | 7.01 | 7.01 | 97.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 5.03 | 5.03 | 9430.0 | 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 | Ki | = | 97.0 | nM | 7.01 | Inhibition of full length human recombinant HPK1 expressed in baculovirus-infect... | 36940470 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of MAP4K3 (unknown origin) by by FRET based Z'-LYTE assay | 36940470 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 9430.0 | nM | 5.03 | Inhibition of HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphor... | 36940470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36940470 | 10.1021/acs.jmedchem.2c02038 | Unchecked | 3 |
| 36940470 | 10.1021/acs.jmedchem.2c02038 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
| 36940470 | 10.1021/acs.jmedchem.2c02038 | No relevant target | 1 |
| 36940470 | 10.1021/acs.jmedchem.2c02038 | Mitogen-activated protein kinase kinase kinase kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine