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Compound Detail

CHEMBL106996

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COc1ccc(/C=C/c2cc[n+](C)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106996
Phase Preclinical
Structure Type MOL
InChI Key URMJFOSYOFMDFR-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.84
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18NO+
MW 276.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
7932536 10.1021/jm00045a018 Choline O-acetyltransferase 1

Data from ChEMBL 36 via Core Engine