Compound Detail
CHEMBL3786162
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Basic Information
| ChEMBL ID | CHEMBL3786162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWXYMMISTIIAIH-IBGZPJMESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.61
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 8.1 | 7.3 | 7.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 7.9 | nM | 8.1 | Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent base... | 26854747 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 40.0 | nM | 7.4 | Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins meas... | 26854747 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 400.0 | nM | 6.4 | 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 | 3 |
Data from ChEMBL 36 via Core Engine