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Compound Detail

CHEMBL4454264

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O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O/C=C/c3ccccc3)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454264
Phase Preclinical
Structure Type MOL
InChI Key LWNHWEQPRLRMLR-HLPXBCOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
1.98
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.11
QED
3
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24O11
MW 524.48
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 1.87

Literature References

PubMed DOI Target Context # Activities
31128447 10.1016/j.ejmech.2019.05.010 dengue virus type 2 1

Data from ChEMBL 36 via Core Engine