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Compound Detail

CHEMBL3781438

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Cc1c(OC(=O)N(C)C)c(=O)ccn1-c1ccc(OC(=O)N(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781438
Phase Preclinical
Structure Type MOL
InChI Key MLSOAYLTPNJECC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.27
ALogP
6
HBA
0
HBD
81.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O5
MW 359.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.63

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26869193 10.1016/j.bmcl.2016.01.080 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine