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Compound Detail

CHEMBL3781763

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Cc1c(OCc2ccc(OC(=O)N(C)C)cc2)c(=O)ccn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781763
Phase Preclinical
Structure Type MOL
InChI Key ONDWEOWBXKUUGB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.79
ALogP
5
HBA
0
HBD
60.8
PSA (Ų)
0.68
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 C22H22N2O4
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.76

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26869193 10.1016/j.bmcl.2016.01.080 Acetylcholinesterase 3

Data from ChEMBL 36 via Core Engine