Compound Detail
CHEMBL3786778
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Basic Information
| ChEMBL ID | CHEMBL3786778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSXXLKPPWYRQCT-HNNXBMFYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.27
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 6.5 | 6.15 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 320.0 | nM | 6.5 | Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins meas... | 26854747 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.... | 26854747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26854747 | 10.1021/acs.jmedchem.5b01898 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine