Compound Detail
CHEMBL4636684
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Basic Information
| ChEMBL ID | CHEMBL4636684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRRYHTCWZKZVIH-JQIJEIRASA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
1.83
ALogP
8
HBA
6
HBD
164.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3020 | IC50 | 4.98 | 4.7775 | 10400.0 | 4 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 4.44 | 4.44 | 36200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of mouse anti-D... | 31879206 |
| Protein kinase C beta type | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of anti-DNP IgE... | 31879206 |
| Protein kinase C beta type | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of ionomycin-st... | 31879206 |
| Protein kinase C beta type | IC50 | = | 22200.0 | nM | 4.65 | Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of ionomycin-st... | 31879206 |
| Protein kinase C beta type | IC50 | = | 36200.0 | nM | 4.44 | Inhibition of recombinant full-length N-temrinal GST-tagged human PKC beta1 expr... | 31879206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31879206 | 10.1016/j.bmcl.2019.126886 | Protein kinase C beta type | 6 |
Data from ChEMBL 36 via Core Engine