Compound Detail
CHEMBL150422
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O=C(OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL150422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMKYWYSMWRGVAG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
593.6
MW (Da)
3.31
ALogP
10
HBA
6
HBD
207.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.55 | 5.255 | 2800.0 | 2 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | IC50 | = | 1900.0 | nM | 5.72 | Evaluated against recombinant human Protein kinase C delta | 8978850 |
| Protein kinase C beta type | IC50 | = | 2800.0 | nM | 5.55 | Evaluated against recombinant human Protein kinase C beta 2 | 8978850 |
| Protein kinase C gamma type | IC50 | = | 4800.0 | nM | 5.32 | Evaluated against recombinant human Protein kinase C gamma | 8978850 |
| Protein kinase C beta type | IC50 | = | 11000.0 | nM | 4.96 | Evaluated against recombinant human Protein kinase C beta 1 | 8978850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978850 | 10.1021/jm960581w | Protein kinase C beta type | 2 |
| 8978850 | 10.1021/jm960581w | Protein kinase C alpha type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C gamma type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C delta type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C epsilon type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C eta type | 1 |
| 8978850 | 10.1021/jm960581w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine