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Compound Detail

CHEMBL1784989

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O=C(O)c1c(O)cccc1CCCCCCCCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784989
Phase Preclinical
Structure Type MOL
InChI Key QANNKHWGISEJDQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.75
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26O4
MW 294.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18789702 10.1016/j.bmc.2008.08.057 Glyceraldehyde-3-phosphate dehydrogenase, glycosomal 1

Data from ChEMBL 36 via Core Engine