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Compound Detail

CHEMBL598794

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CC(C)C(=O)c1c(O)c(Cc2c(O)c(C(=O)C(C)C)c(O)c(C(=O)C(C)C)c2O)c(O)c(C(=O)C(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL598794
Phase Preclinical
Structure Type MOL
InChI Key PXOXCJADZPFJCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
4.87
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36O10
MW 544.60
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.58

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
22342146 10.1016/j.bmcl.2012.01.089 ACHN 1
22342146 10.1016/j.bmcl.2012.01.089 PANC-1 1
22342146 10.1016/j.bmcl.2012.01.089 Calu-1 1
22342146 10.1016/j.bmcl.2012.01.089 NCI-H460 1
22342146 10.1016/j.bmcl.2012.01.089 HCT-116 1

Data from ChEMBL 36 via Core Engine