Compound Detail
CHEMBL4584982
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Basic Information
| ChEMBL ID | CHEMBL4584982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVJMRAJJKOSYMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.79
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C iota type CHEMBL2598 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C iota type | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of recombinant human full length N-terminal GST-fused PKCi (1 to 587 ... | 30891133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30891133 | 10.1021/acsmedchemlett.8b00546 | Protein kinase C iota type | 1 |
| 26985295 | 10.1021/acsmedchemlett.5b00396 | Transitional endoplasmic reticulum ATPase | 1 |
Data from ChEMBL 36 via Core Engine