Compound Detail
CHEMBL4099004
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Basic Information
| ChEMBL ID | CHEMBL4099004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYJCMYZVWUPJEP-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.81
ALogP
6
HBA
1
HBD
97.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 9.3 | 8.8 | 0.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 33.0 | 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 | = | 0.5 | nM | 9.3 | Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected i... | 28151659 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph... | 28151659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28151659 | 10.1021/acs.jmedchem.6b01751 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | No relevant target | 1 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine