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Compound Detail

CHEMBL3559217

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O=[N+]([O-])c1ccc(C[n+]2ccc(-c3cc4cc(Br)ccc4o3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559217
Phase Preclinical
Structure Type MOL
InChI Key VPSRFNKWDPIPLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.2
MW (Da)
5.11
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14BrN2O3+
MW 410.25
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine