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Compound Detail

CHEMBL9338

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

Basic Information

ChEMBL ID CHEMBL9338
Phase Preclinical
Structure Type MOL
InChI Key JJGDKTAGFXWBCS-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
5.42
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32O6
MW 428.53
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.75

Literature References

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

Data from ChEMBL 36 via Core Engine