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Compound Detail

CHEMBL417665

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C=CCOC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCCCCCC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417665
Phase Preclinical
Structure Type MOL
InChI Key FCCWYKAQMKYTOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
6.58
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38O6
MW 482.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
11882004 10.1021/jm011050x Cytosolic phospholipase A2 beta 1
11882004 10.1021/jm011050x No relevant target 1

Data from ChEMBL 36 via Core Engine