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Compound Detail

CHEMBL2018558

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CCCNC(=O)CCCCc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018558
Phase Preclinical
Structure Type MOL
InChI Key BFZBWOAXKFBPAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.65
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO3
MW 263.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

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