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Compound Detail

CHEMBL475142

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COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475142
Phase Preclinical
Structure Type MOL
InChI Key YTEILYMPDFYVHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

355.7
MW (Da)
2.09
ALogP
5
HBA
0
HBD
104.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10ClN3O4
MW 355.74
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
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

Data from ChEMBL 36 via Core Engine