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Compound Detail

CHEMBL4207025

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COC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/CO)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207025
Phase Preclinical
Structure Type MOL
InChI Key OPECOSDLYYXPJY-WSPXSRFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.66
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23FO4
MW 322.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
30258542 10.1021/acsmedchemlett.8b00282 Trypanosoma brucei brucei 2
30258542 10.1021/acsmedchemlett.8b00282 Alternative oxidase, mitochondrial 1
30258542 10.1021/acsmedchemlett.8b00282 HEK-293T 1

Data from ChEMBL 36 via Core Engine