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Compound Detail

CHEMBL4462080

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CCC[C@@H]1OC(=O)[C@@H]1CCCc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462080
Phase Preclinical
Structure Type MOL
InChI Key GVNPMTJLKYPTPE-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
3.36
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.71
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 C16H22O3
MW 262.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.04

Literature References

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

Data from ChEMBL 36 via Core Engine