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Compound Detail

CHEMBL318371

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O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318371
Phase Preclinical
Structure Type MOL
InChI Key VRALVBRCALAKME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

327.1
MW (Da)
3.86
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.66
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 C13H8Cl2N2O4
MW 327.12
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 Staphylococcus aureus 2
9685233 10.1021/jm9803572 Enterococcus faecalis 2
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1
9685233 10.1021/jm9803572 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine