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Compound Detail

CHEMBL235490

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COc1ccccc1C(=O)C(=O)c1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235490
Phase Preclinical
Structure Type MOL
InChI Key PYDAJROJMZJKFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.77
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4
MW 270.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
17941623 10.1021/jm0706867 Unchecked 1
17941623 10.1021/jm0706867 Liver carboxylesterase 1 1
17941623 10.1021/jm0706867 Acetylcholinesterase 1
17941623 10.1021/jm0706867 Cholinesterase 1

Data from ChEMBL 36 via Core Engine