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Compound Detail

CHEMBL3416663

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CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416663
Phase Preclinical
Structure Type MOL
InChI Key SSZUGUOHWXMKKZ-MOSHPQCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.21
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.73
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 C22H24N2O4
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
25768702 10.1016/j.ejmech.2015.02.055 Acetylcholinesterase 1
25768702 10.1016/j.ejmech.2015.02.055 Cholinesterase 1
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine