Compound Detail
CHEMBL344218
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C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)/C(=N/CCS(=O)(=O)O)C=C3O
Basic Information
| ChEMBL ID | CHEMBL344218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHNKCROOXKIGJA-MWLMUJSGSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.89
ALogP
7
HBA
2
HBD
134.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473578 | 10.1021/jm00022a016 | HCT-116 | 1 |
| 7473578 | 10.1021/jm00022a016 | XRS6 | 1 |
| 7473578 | 10.1021/jm00022a016 | DNA topoisomerase II | 1 |
| 7473578 | 10.1021/jm00022a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine