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Compound Detail

CHEMBL3764021

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CC(=O)OC1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764021
Phase Preclinical
Structure Type MOL
InChI Key MJOQJPYNENPSSS-DAAZQVBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
-0.30
ALogP
9
HBA
0
HBD
114.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H18O9
MW 318.28
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.46

Literature References

PubMed DOI Target Context # Activities
26832785 10.1016/j.bmcl.2016.01.063 NCI-H1299 1

Data from ChEMBL 36 via Core Engine