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Compound Detail

CHEMBL4789240

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C#CCN1CCCC(OC(=O)N(C)CC)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789240
Phase Preclinical
Structure Type MOL
InChI Key VOYPIHUBPQHSHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
1.17
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2O2
MW 224.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -1.22

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