Compound Detail
CHEMBL4445751
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Basic Information
| ChEMBL ID | CHEMBL4445751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJHSPFJYDJOPFA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.18
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL3784911 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 6.96 | 6.835 | 110.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of RIPK1 in mouse RGC-5 cells incubated for 30 mins in presence of [g... | 31622096 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of RIPK1 in mouse RGC-5 cells incubated for 30 mins in presence of [g... | 36346971 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of RIPK1 (unknown origin) in presence of [gamma33P]ATP measured after... | 38199165 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 193.0 | nM | 6.71 | Enzyme Immuno Assay: RIPK1 protein was over-expressed in HEK293 cell line, to wh... | - |
| Unchecked | EC50 | = | 3000.0 | nM | 5.52 | Anti-necrotic activity in mouse RGC-5 cells | 36346971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 36346971 | 10.1021/acs.jmedchem.2c01518 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 36346971 | 10.1021/acs.jmedchem.2c01518 | Unchecked | 1 |
| 38199165 | 10.1016/j.ejmech.2024.116123 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine