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Compound Detail

CHEMBL603110

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

Basic Information

ChEMBL ID CHEMBL603110
Phase Preclinical
Structure Type MOL
InChI Key JINZJFKZMGSFPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
3.59
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H28O10
MW 488.49
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.87

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