Compound Detail
CHEMBL5441105
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Basic Information
| ChEMBL ID | CHEMBL5441105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRSHVDTUQJJALN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.57
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 9.1 | 7.805 | 0.8 | 2 |
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 525.0 | 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 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of full-length human GST-tagged HPK1 expressed in baculovirus infecte... | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | EC50 | = | 15.0 | nM | 7.82 | Inhibition of human HPK1 in anti-humanCD3/anti-humanCD28 stimulated human CD3-po... | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 ph... | 37531921 |
| Unchecked | IC50 | = | 525.0 | nM | 6.28 | Cytotoxicity against anti-humanCD3/anti-humanCD28 stimulated human CD3-positive ... | 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 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine