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Compound Detail

CHEMBL554606

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C/[N+]([O-])=C/c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554606
Phase Preclinical
Structure Type MOL
InChI Key NJLFJRKNRYFXPS-ALCCZGGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

125.1
MW (Da)
0.84
ALogP
2
HBA
0
HBD
39.2
PSA (Ų)
0.24
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 C6H7NO2
MW 125.13
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
19410467 10.1016/j.bmc.2009.04.004 Syrian golden hamster 3
34531949 10.1021/acsmedchemlett.1c00193 Leishmania amazonensis 2
34531949 10.1021/acsmedchemlett.1c00193 Leishmania infantum 2
34531949 10.1021/acsmedchemlett.1c00193 ADMET 2
34531949 10.1021/acsmedchemlett.1c00193 Peritoneal macrophage 1

Data from ChEMBL 36 via Core Engine