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Compound Detail

CHEMBL363855

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CC(=O)CCC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363855
Phase Preclinical
Structure Type MOL
InChI Key RBLXWIPBPPVLPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
2.24
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12O2
MW 176.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
15828829 10.1021/jm049011j Liver carboxylesterase 1 2
15828829 10.1021/jm049011j Cocaine esterase 1
15828829 10.1021/jm049011j Acetylcholinesterase 1
15828829 10.1021/jm049011j Cholinesterase 1

Data from ChEMBL 36 via Core Engine