Compound Detail
CHEMBL185221
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Basic Information
| ChEMBL ID | CHEMBL185221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APGXSWCOZAHJDR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.50
ALogP
5
HBA
3
HBD
83.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.52 | 7.52 | 30.0 | 3 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 5.2 | 5.2 | 6322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against recombinant human Protein kinase C beta 2 | 15380221 |
| Protein kinase C beta type | IC50 | = | 30.2 | nM | 7.52 | Inhibition of PKCbeta2 (unknown origin) | - |
| Protein kinase C beta type | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PKCbeta2 (unknown origin) | - |
| Protein kinase C alpha type | IC50 | = | 1620.0 | nM | 5.79 | Inhibitory concentration against recombinant human Protein kinase C alpha | 15380221 |
| Protein kinase C epsilon type | IC50 | = | 6322.0 | nM | 5.2 | Inhibitory concentration against recombinant human Protein kinase C epsilon | 15380221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9439-6 | Protein kinase C beta type | 2 |
| 15380221 | 10.1016/j.bmcl.2004.07.061 | Protein kinase C beta type | 1 |
| 15380221 | 10.1016/j.bmcl.2004.07.061 | Protein kinase C alpha type | 1 |
| 15380221 | 10.1016/j.bmcl.2004.07.061 | Protein kinase C epsilon type | 1 |
Data from ChEMBL 36 via Core Engine