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Compound Detail

CHEMBL2177721

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CCN(C)C(=O)Oc1cccc2c1c(CCC(=O)OC)cn2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177721
Phase Preclinical
Structure Type MOL
InChI Key CSRARZAQGZERCG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.73
ALogP
5
HBA
0
HBD
60.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O4
MW 318.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.51

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23151013 10.1021/jm301411g Butyrylcholinesterase 1
23151013 10.1021/jm301411g Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine