Compound Detail
CHEMBL5440958
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Basic Information
| ChEMBL ID | CHEMBL5440958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTNZSDBOFPHHKH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.04
ALogP
7
HBA
2
HBD
79.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 8.41 | 7.25 | 3.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.39 | 4100.0 | 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 | = | 3.9 | nM | 8.41 | Inhibition of full-length human GST-tagged HPK1 expressed in baculovirus infecte... | 37531921 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 809.0 | nM | 6.09 | Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 ph... | 37531921 |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | 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