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Compound Detail

CHEMBL2177723

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COC(=O)CCc1c[nH]c2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177723
Phase Preclinical
Structure Type MOL
InChI Key AVBPTTATXCPVLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.92
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O5
MW 382.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
23151013 10.1021/jm301411g H9c2 3
23151013 10.1021/jm301411g Butyrylcholinesterase 1
23151013 10.1021/jm301411g Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine