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Compound Detail

CHEMBL5401157

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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(F)cc(F)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401157
Phase Preclinical
Structure Type MOL
InChI Key MALMTDYJOIRSKY-VRFYTPIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
3.40
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22F2O6
MW 468.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
38127656 10.1021/acs.jmedchem.3c01357 Hepatitis E virus 4
38127656 10.1021/acs.jmedchem.3c01357 HepG2 2
38127656 10.1021/acs.jmedchem.3c01357 ADMET 2

Data from ChEMBL 36 via Core Engine