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Compound Detail

CHEMBL4176469

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COc1cc([N+](=O)[O-])c2[nH]c(=O)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176469
Phase Preclinical
Structure Type MOL
InChI Key IGCHHZZIFYTANC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
1.44
ALogP
4
HBA
1
HBD
85.2
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 C10H8N2O4
MW 220.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
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