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Compound Detail

CHEMBL4748333

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Brc1cnc2c3cccnc3nn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748333
Phase Preclinical
Structure Type MOL
InChI Key CPWXLCADPRITAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.1
MW (Da)
2.04
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H5BrN4
MW 249.07
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -1.69

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