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Compound Detail

CHEMBL3234667

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CCCc1cc(O)c(O)c(O)c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3234667
Phase Preclinical
Structure Type MOL
InChI Key BDEOEWDBHLJIBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
1.54
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14O5
MW 226.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
24725159 10.1021/np4008574 No relevant target 4
24725159 10.1021/np4008574 HL-60 2
24725159 10.1021/np4008574 HeLa 2
24725159 10.1021/np4008574 Vero 2

Data from ChEMBL 36 via Core Engine