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Compound Detail

CHEMBL3797294

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COn1c(-c2ccccc2)c(Br)c2cc(C#N)c(C#N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797294
Phase Preclinical
Structure Type MOL
InChI Key FPFIKYVTDSSCFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.2
MW (Da)
3.87
ALogP
4
HBA
0
HBD
61.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10BrN3O
MW 352.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
27020523 10.1016/j.bmcl.2016.03.060 Amine oxidase [flavin-containing] A 1
27020523 10.1016/j.bmcl.2016.03.060 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine