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Compound Detail

CHEMBL4798907

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CCN(C)C(=O)OC1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798907
Phase Preclinical
Structure Type MOL
InChI Key JOSOZFZQNNBBRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.74
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O2
MW 276.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] B 1
32380361 10.1016/j.ejmech.2020.112282 Acetylcholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Cholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine