Compound Detail
CHEMBL4063232
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Basic Information
| ChEMBL ID | CHEMBL4063232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCBOLQOPKUEBBQ-SFHVURJKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.81
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 5.5 | 5.2867 | 3162.0 | 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 | = | 3162.0 | nM | 5.5 | Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-... | 28151659 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 5500.0 | nM | 5.26 | FP Binding assay: ollowing this reaction, 10 uL of ADP-Glo reagent (Promega) was... | - |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 7943.0 | nM | 5.1 | 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 |
Data from ChEMBL 36 via Core Engine