Compound Detail
CHEMBL4856366
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CC(C)Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21
Basic Information
| ChEMBL ID | CHEMBL4856366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWKOGJYABSALSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
4.92
ALogP
7
HBA
1
HBD
94.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 7.19 | 7.19 | 64.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 64.7 | nM | 7.19 | Inhibition of recombinant RIPK2 (unknown origin) using RS repeat peptide as subs... | 33601309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33601309 | 10.1016/j.ejmech.2021.113252 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 33601309 | 10.1016/j.ejmech.2021.113252 | Activin receptor type-1 | 1 |
| 33601309 | 10.1016/j.ejmech.2021.113252 | Nucleotide-binding oligomerization domain-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine