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Compound Detail

CHEMBL4460099

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CCC[C@@H]1OC(=O)[C@@H]1CCCCc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460099
Phase Preclinical
Structure Type MOL
InChI Key ZOLASADGOOSOHW-MOPGFXCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.89
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O2
MW 296.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.95

Literature References

PubMed DOI Target Context # Activities
30798607 10.1021/acs.jmedchem.8b01216 85/88 kDa calcium-independent phospholipase A2 2
30798607 10.1021/acs.jmedchem.8b01216 Cytosolic phospholipase A2 1
30798607 10.1021/acs.jmedchem.8b01216 Unchecked 1

Data from ChEMBL 36 via Core Engine