Compound Detail
CHEMBL5562613
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COc1cccc([C@H](C)NC(=O)c2cn(C)c3ccc(-c4ccn5nc(NC(=O)C(C)C)nc5c4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL5562613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AONQYOFLFYDFEP-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.98
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.46 | 7.46 | 35.0 | 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 | = | 35.0 | nM | 7.46 | Inhibition of human RIPK1 (1 to 294 residues) preincubated for 15 mins followed ... | 38159286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38159286 | 10.1021/acs.jmedchem.3c02102 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine