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Compound Detail

CHEMBL3899693

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O=C(c1ccc(Cl)c(Cl)c1)c1no[n+]([O-])c1C(=O)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3899693
Phase Preclinical
Structure Type MOL
InChI Key ZGWHDQBWWAZCRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.1
MW (Da)
4.38
ALogP
5
HBA
0
HBD
87.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H6Cl4N2O4
MW 432.05
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine