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Compound Detail

CHEMBL1784986

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CCCCCCCCCc1cccc(O)c1C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784986
Phase Preclinical
Structure Type MOL
InChI Key ARMAWDNITSNSID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.86
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28O3
MW 292.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.34

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