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Compound Detail

CHEMBL5179555

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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)c3cncc(F)c3)C[C@H]2[C@H](OC(=O)c2cncc(F)c2)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5179555
Phase Preclinical
Structure Type MOL
InChI Key WEGICQDYNXZIFA-RNAFNFGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
4.76
ALogP
8
HBA
0
HBD
104.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28F2N2O6
MW 526.54
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.93

Literature References

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

Data from ChEMBL 36 via Core Engine