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Compound Detail

CHEMBL5174455

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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)OCc3cncc(F)c3)C[C@H]2[C@H](O)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174455
Phase Preclinical
Structure Type MOL
InChI Key VKCCHQBETLEUQA-DWMDRPMJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
3.86
ALogP
7
HBA
1
HBD
95.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FNO6
MW 433.48
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
36089748 10.1021/acs.jmedchem.2c00532 HepG2 1

Data from ChEMBL 36 via Core Engine