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Compound Detail

CHEMBL454944

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CCOC(=O)c1c(-c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454944
Phase Preclinical
Structure Type MOL
InChI Key BRHZSLZKEOOOLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
3.26
ALogP
4
HBA
0
HBD
80.2
PSA (Ų)
0.40
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 C17H12Cl2N2O4
MW 379.20
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
21506600 10.1021/jm2002469 Trypanosoma cruzi 7
19058970 10.1016/j.bmc.2008.10.086 Mycobacterium tuberculosis 2
19058970 10.1016/j.bmc.2008.10.086 Vero 1
19058970 10.1016/j.bmc.2008.10.086 Unchecked 1
18215443 10.1016/j.ejmech.2007.11.024 Plasmodium falciparum 1
21506600 10.1021/jm2002469 Leishmania braziliensis 1

Data from ChEMBL 36 via Core Engine