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Compound Detail

CHEMBL2042584

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O=[N+]([O-])c1cccc2nc(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042584
Phase Preclinical
Structure Type MOL
InChI Key NRZABPOFVNBWMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
1.85
ALogP
4
HBA
1
HBD
76.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6N2O3
MW 190.16
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.39

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
29885575 10.1016/j.ejmech.2018.06.001 No relevant target 1
29885575 10.1016/j.ejmech.2018.06.001 Leishmania infantum 1
29885575 10.1016/j.ejmech.2018.06.001 HepG2 1
29885575 10.1016/j.ejmech.2018.06.001 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine