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Compound Detail

CHEMBL604093

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CC(=O)c1c(O)c(C(C)=O)c(O)c(C(c2ccc(O)cc2)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604093
Phase Preclinical
Structure Type MOL
InChI Key ATHYGCDATSBBIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
3.62
ALogP
11
HBA
7
HBD
209.9
PSA (Ų)
0.18
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24O11
MW 524.48
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
20137956 10.1016/j.bmc.2010.01.023 Human immunodeficiency virus 1 2
20137956 10.1016/j.bmc.2010.01.023 CCRF-CEM 2

Data from ChEMBL 36 via Core Engine