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Compound Detail

CHEMBL609719

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C[N+]1(C)CCO[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609719
Phase Preclinical
Structure Type MOL
InChI Key PGUWUMTWJICUPA-UTONKHPSSA-M
Parent Compound CHEMBL136512
Active Moiety CHEMBL136512
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
0.85
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.48
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 C12H17ClN2O4
MW 288.73
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.17

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