Compound Detail
CHEMBL343788
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COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL343788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDNDTODTDPFKCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
556.4
MW (Da)
3.61
ALogP
7
HBA
5
HBD
129.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against P388 Murine Leukemia cells | 8893841 |
| Protein kinase C alpha type | IC50 | = | 28800.0 | nM | 4.54 | Inhibition of Protein Kinase C(PKC) | 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