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Compound Detail

CHEMBL453121

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O=C(O)c1ccc(-c2c(C(=O)O)[n+]([O-])c3ccccc3[n+]2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453121
Phase Preclinical
Structure Type MOL
InChI Key OBOVCSADAFZKLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
1.17
ALogP
4
HBA
2
HBD
128.5
PSA (Ų)
0.55
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 C16H10N2O6
MW 326.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
18215443 10.1016/j.ejmech.2007.11.024 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine