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Compound Detail

CHEMBL8794

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CC(C)=CC[C@@H](OC(=O)C(Cl)(Cl)Cl)C1=CC(=O)c2c(O)ccc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8794
Phase Preclinical
Structure Type MOL
InChI Key WMHGODXWEHOVFH-CYBMUJFWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.7
MW (Da)
4.04
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl3O6
MW 433.67
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7699697 10.1021/jm00006a025 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine