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Compound Detail

CHEMBL8937

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CC(C)=CC[C@@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8937
Phase Preclinical
Structure Type MOL
InChI Key XXUTVXADNZJSAB-XLRAXISUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

570.7
MW (Da)
8.20
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H42O6
MW 570.73
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 2.36

Literature References

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

Data from ChEMBL 36 via Core Engine