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Compound Detail

CHEMBL235903

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COc1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235903
Phase Preclinical
Structure Type MOL
InChI Key CIEDRKCFZMHQIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.46
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.10

Literature References

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

Data from ChEMBL 36 via Core Engine