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Compound Detail

CHEMBL354726

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C[n+]1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354726
Phase Preclinical
Structure Type MOL
InChI Key HSARNYRKEYRWGP-ASTDGNLGSA-M
Parent Compound CHEMBL1184536
Active Moiety CHEMBL1184536
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.99
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.36
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 C22H18IN
MW 423.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.09

Activity Summary

IC50 2 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 Unchecked 1

Data from ChEMBL 36 via Core Engine