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Compound Detail

CHEMBL553877

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Cl.[O-][n+]1ccc(/C=C/c2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553877
Phase Preclinical
Structure Type MOL
InChI Key LQMDPORNZYZHGV-HRNDJLQDSA-N
Parent Compound CHEMBL1195120
Active Moiety CHEMBL1195120
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
3.64
ALogP
1
HBA
0
HBD
26.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClNO
MW 283.76
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3351860 10.1021/jm00399a022 Acetylcholinesterase 2
3351860 10.1021/jm00399a022 Choline O-acetyltransferase 1
3351860 10.1021/jm00399a022 Mus musculus 1
3351860 10.1021/jm00399a022 Unchecked 1

Data from ChEMBL 36 via Core Engine