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Compound Detail

CHEMBL4214233

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CC(=O)OC/C=C(\C)CC/C=C(\C)COC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/COC(C)=O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214233
Phase Preclinical
Structure Type MOL
InChI Key WNYUAEQFHHVHCA-CMFRXWNISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

542.7
MW (Da)
6.40
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H42O8
MW 542.67
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
30258542 10.1021/acsmedchemlett.8b00282 Trypanosoma brucei brucei 1
30258542 10.1021/acsmedchemlett.8b00282 Alternative oxidase, mitochondrial 1

Data from ChEMBL 36 via Core Engine