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Compound Detail

CHEMBL421484

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COc1c2c(cc3oc(=O)ccc13)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421484
Phase Preclinical
Structure Type MOL
InChI Key IQHYTBNIALJDPE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
1.74
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H10O4
MW 218.21
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15081008 10.1016/j.bmcl.2004.02.025 Glyceraldehyde-3-phosphate dehydrogenase 1

Data from ChEMBL 36 via Core Engine