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Compound Detail

CHEMBL511674

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C[n+]1c2ccc(Br)cc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21

Basic Information

ChEMBL ID CHEMBL511674
Phase Preclinical
Structure Type MOL
InChI Key NDXPBXBTCLVYQH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.2
MW (Da)
3.97
ALogP
2
HBA
1
HBD
62.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrN3O2+
MW 357.19
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine