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Compound Detail

CHEMBL2040868

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O=C(O)c1ccc2cccc([N+](=O)[O-])c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2040868
Phase Preclinical
Structure Type MOL
InChI Key YKNRUBPOGQLIKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
1.84
ALogP
4
HBA
1
HBD
93.3
PSA (Ų)
0.61
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 C10H6N2O4
MW 218.17
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
22608675 10.1016/j.ejmech.2012.04.029 Leishmania donovani 1
22608675 10.1016/j.ejmech.2012.04.029 J774.A1 1
22608675 10.1016/j.ejmech.2012.04.029 HepG2 1
22608675 10.1016/j.ejmech.2012.04.029 Unchecked 1

Data from ChEMBL 36 via Core Engine