Compound Detail
CHEMBL335373
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COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(O)C4=O)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL335373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPHLAINIAOGXQY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
2.04
ALogP
9
HBA
5
HBD
157.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 |
| B16 CHEMBL381 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.4 | 4.4 | 40000.0 | 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 |
| B16 | IC50 | = | 5800.0 | nM | 5.24 | Antiproliferative activity against B16 mouse melanoma cells | 8893841 |
| Protein kinase C alpha type | IC50 | = | 40000.0 | nM | 4.4 | 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