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Compound Detail

CHEMBL166791

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C[n+]1cccc(NC(=O)Nc2cccc3ccccc23)c1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166791
Phase Preclinical
Structure Type MOL
InChI Key JJXZTKDUNDMSIK-UHFFFAOYSA-N
Parent Compound CHEMBL1181352
Active Moiety CHEMBL1181352
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.31
ALogP
1
HBA
2
HBD
45.0
PSA (Ų)
0.69
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 C17H16IN3O
MW 405.24
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.02

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine