Compound Detail
CHEMBL149604
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CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL149604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMWXMWABKUQJNC-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
545.5
MW (Da)
1.76
ALogP
10
HBA
6
HBD
207.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.66 | 6.515 | 220.0 | 2 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 220.0 | nM | 6.66 | Evaluated against recombinant human Protein kinase C beta 1 | 8978850 |
| Protein kinase C eta type | IC50 | = | 390.0 | nM | 6.41 | Evaluated against recombinant human Protein kinase C eta | 8978850 |
| Protein kinase C delta type | IC50 | = | 410.0 | nM | 6.39 | Evaluated against recombinant human Protein kinase C delta | 8978850 |
| Protein kinase C beta type | IC50 | = | 430.0 | nM | 6.37 | Evaluated against recombinant human Protein kinase C beta 2 | 8978850 |
| Protein kinase C gamma type | IC50 | = | 5000.0 | nM | 5.3 | Evaluated against recombinant human Protein kinase C gamma | 8978850 |
| Protein kinase C alpha type | IC50 | = | 23000.0 | nM | 4.64 | Evaluated against recombinant human Protein kinase C alpha | 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