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Compound Detail

CHEMBL3113648

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O=c1oc2ccc(OCc3ccccc3)cc2cc1CN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3113648
Phase Preclinical
Structure Type MOL
InChI Key FXXANWSDYLOLFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.97
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.66
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 C21H21NO3
MW 335.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
24393810 10.1016/j.ejmech.2013.11.035 Amine oxidase [flavin-containing] B 1
24393810 10.1016/j.ejmech.2013.11.035 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine