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Compound Detail

CHEMBL591469

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COP(=O)(OC)O/C(C)=C1/CCOC1=O

Basic Information

ChEMBL ID CHEMBL591469
Phase Preclinical
Structure Type MOL
InChI Key XUMVWMVTRVLHEJ-SREVYHEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
1.62
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.32
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 C8H13O6P
MW 236.16
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
20189400 10.1016/j.bmc.2010.01.063 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine