Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4777039

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C#CCN1CCC(COC(=O)N(C)CC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777039
Phase Preclinical
Structure Type MOL
InChI Key CULWUIGVFNMPBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.42
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.69
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 C13H22N2O2
MW 238.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -1.57

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