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Compound Detail

CHEMBL2018560

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CN1CCN(C(=O)CCCCc2ccc3c(c2)OCO3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018560
Phase Preclinical
Structure Type MOL
InChI Key CSHXRRXPDIERTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
1.90
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.78
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 C17H24N2O3
MW 304.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] A 1
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine