Compound Detail
CHEMBL352709
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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCc4ccccc4)cccc3nc2-1
Basic Information
| ChEMBL ID | CHEMBL352709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQOKDXHWOQHHTC-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.86
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.79 | 7.79 | 16.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 16.3 | nM | 7.79 | Concentration required to inhibit 50% of cell growth in L1210 murine leukemia ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00105-4 | L1210 | 1 |
| - | 10.1016/S0960-894X(97)00105-4 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine