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Compound Detail

CHEMBL298102

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C[N+](C)(CC(=O)c1ccccc1)CC1OCCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298102
Phase Preclinical
Structure Type MOL
InChI Key FBNQCUXIVOFMAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
1.71
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.60
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 C15H22NO3+
MW 264.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
2033583 10.1021/jm00109a009 Mus musculus 1
2033583 10.1021/jm00109a009 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine