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Compound Detail

CHEMBL609718

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C[N+](C)(C)c1cccc([N+](=O)[O-])c1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609718
Phase Preclinical
Structure Type MOL
InChI Key GHQUMTJGFRNQSR-UHFFFAOYSA-M
Parent Compound CHEMBL136185
Active Moiety CHEMBL136185
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.79
ALogP
2
HBA
0
HBD
43.1
PSA (Ų)
0.40
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 C9H13ClN2O2
MW 216.67
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.72

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9435905 10.1021/jm970488n Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine