Compound Detail
CHEMBL5632090
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Basic Information
| ChEMBL ID | CHEMBL5632090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEBOOLVJJQETGD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.49
ALogP
5
HBA
1
HBD
80.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Ki 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | Ki | 7.23 | 7.23 | 58.9 | 1 |
| U-937 CHEMBL612794 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | Ki | = | 58.88 | nM | 7.23 | Inhibition of human RIPK1 assessed as inhibition constant by ADP-Glo Kinase assa... | 38316369 |
| U-937 | IC50 | = | 79.43 | nM | 7.1 | Inhibition of necroptosis in human U-937 cells | 38316369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38316369 | 10.1016/j.bmcl.2024.129643 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
| 38316369 | 10.1016/j.bmcl.2024.129643 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine