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Compound Detail

CHEMBL597363

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CC(=O)c1c(O)c(C(C)=O)c(O)c(C(CCc2ccccc2)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL597363
Phase Preclinical
Structure Type MOL
InChI Key KXSSUUBMIQITJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
4.50
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28O10
MW 536.53
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.51

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