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Compound Detail

CHEMBL4547425

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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/c3ccc(O)c(O)c3)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4547425
Phase Preclinical
Structure Type MOL
InChI Key SMMMSCVTHXSRPD-ZCOYGBBKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
1.39
ALogP
13
HBA
9
HBD
230.7
PSA (Ų)
0.10
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 C27H24O13
MW 556.48
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness 1.94

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