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Compound Detail

CHEMBL119242

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O=[N+]([O-])c1cccc2c(Nc3cccc(Br)c3)ncnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119242
Phase Preclinical
Structure Type MOL
InChI Key QJBJVUJYJKBCJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
4.04
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9BrN4O2
MW 345.16
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
7658435 10.1021/jm00018a008 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine