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Compound Detail

CHEMBL1784977

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CCCCCCCCCCC=Cc1cccc(OC)c1C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784977
Phase Preclinical
Structure Type MOL
InChI Key HOCMCSIRMYBAHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
6.42
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34O3
MW 346.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.36

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