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Compound Detail

CHEMBL353761

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C[n+]1ccc(CCc2cccc3ccccc23)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353761
Phase Preclinical
Structure Type MOL
InChI Key BUVXAXRMQCTVSE-UHFFFAOYSA-M
Parent Compound CHEMBL1184524
Active Moiety CHEMBL1184524
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.45
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.63
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 C18H18IN
MW 375.25
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.19

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