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Compound Detail

CHEMBL1165478

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O=C(O)CCc1coc2cccc(OCC3CCCCC3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165478
Phase Preclinical
Structure Type MOL
InChI Key PKNKHTXLRDEPCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.77
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O5
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine