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Compound Detail

CHEMBL1784980

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CCOC(=O)c1c(CCCCCCCCCCOC2CCCCO2)cccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784980
Phase Preclinical
Structure Type MOL
InChI Key NKPSPVCIDIEJFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
6.08
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40O5
MW 420.59
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.16

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