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Compound Detail

CHEMBL360063

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CC(=O)OC1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360063
Phase Preclinical
Structure Type MOL
InChI Key XUDPZJSYCMSVHA-ASCMOBCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.08
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O7
MW 398.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
15603944 10.1016/j.bmcl.2004.10.079 Trypanosoma cruzi 5

Data from ChEMBL 36 via Core Engine