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Compound Detail

CHEMBL4746955

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O=[N+]([O-])c1ccc2nn3cc(Br)cnc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746955
Phase Preclinical
Structure Type MOL
InChI Key MEGDGLIILJKOJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.1
MW (Da)
2.55
ALogP
5
HBA
0
HBD
73.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5BrN4O2
MW 293.08
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.11

Literature References

PubMed DOI Target Context # Activities
33071056 10.1016/j.ejmech.2020.112911 Amine oxidase [flavin-containing] A 1
33071056 10.1016/j.ejmech.2020.112911 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine