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Compound Detail

CHEMBL3319263

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COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319263
Phase Preclinical
Structure Type MOL
InChI Key VUENXSBJZQUDSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.83
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O3
MW 297.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] A 2
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine