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Compound Detail

CHEMBL2011519

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C/C=C/C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011519
Phase Preclinical
Structure Type MOL
InChI Key QIFYDSMWESCVBZ-FAOXUISGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
-0.83
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H22O6
MW 310.35
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
22264115 10.1021/np200646e No relevant target 1
22264115 10.1021/np200646e Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine