Compound Detail
CHEMBL5575973
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CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H]3CCCc5ccccc53)cn4C)ccn2n1
Basic Information
| ChEMBL ID | CHEMBL5575973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGJXAALOPPFNCP-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.29
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.32 | 7.32 | 48.0 | 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 | = | 48.0 | nM | 7.32 | 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