Compound Detail
CHEMBL138041
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Basic Information
| ChEMBL ID | CHEMBL138041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GROIMOJMDVEEMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
3.43
ALogP
3
HBA
3
HBD
95.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.36 | 4.36 | 43500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.35 | 4.35 | 44600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 43500.0 | nM | 4.36 | Inhibition of Protein Kinase C(PKC) | 8893841 |
| Unchecked | IC50 | = | 44600.0 | nM | 4.35 | Inhibition of Protein Kinase A (PKA). | 8893841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893841 | 10.1021/jm9603779 | Protein kinase C alpha type | 1 |
| 8893841 | 10.1021/jm9603779 | Unchecked | 1 |
| 8893841 | 10.1021/jm9603779 | B16 | 1 |
| 8893841 | 10.1021/jm9603779 | P388 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 1 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 2-beta | 1 |
| 8893841 | 10.1021/jm9603779 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine