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Compound Detail

CHEMBL1616549

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O=[N+]([O-])c1ccc(O)c(Nc2ncnc3ccc(Br)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616549
Phase Preclinical
Structure Type MOL
InChI Key WQESQFPXLBRJRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
3.75
ALogP
6
HBA
2
HBD
101.2
PSA (Ų)
0.42
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 C14H9BrN4O3
MW 361.16
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine