Compound Detail
CHEMBL4554676
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Basic Information
| ChEMBL ID | CHEMBL4554676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWEYACIOYHILCZ-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.10
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 8.3 | 8.15 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 310.0 | 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 | = | 5.0 | nM | 8.3 | Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in... | 31223438 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 10.0 | nM | 8.0 | 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 |
| 31223438 | 10.1021/acsmedchemlett.9b00108 | ADMET | 1 |
| 31223438 | 10.1021/acsmedchemlett.9b00108 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine