Compound Detail
CHEMBL4068352
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Basic Information
| ChEMBL ID | CHEMBL4068352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFSNCVAFJZNLIM-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
1.52
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.5 | 7.25 | 32.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2500.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in... | 31223438 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of RIP1 in human U937 cells assessed as reduction in necroptosis incu... | 31223438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223438 | 10.1021/acsmedchemlett.9b00108 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | ADMET | 1 |
| 31223438 | 10.1021/acsmedchemlett.9b00108 | ADMET | 1 |
| 31223438 | 10.1021/acsmedchemlett.9b00108 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine