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Compound Detail

CHEMBL2022338

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O=C1C=C(n2cc(-c3ccc([N+](=O)[O-])cc3)nn2)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2022338
Phase Preclinical
Structure Type MOL
InChI Key YPWUXSFFNJZFHX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.77
ALogP
7
HBA
0
HBD
108.0
PSA (Ų)
0.53
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 C18H10N4O4
MW 346.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23535320 10.1016/j.ejmech.2013.02.038 Unchecked 4
23535320 10.1016/j.ejmech.2013.02.038 Leishmania amazonensis 3
23535320 10.1016/j.ejmech.2013.02.038 Leishmania infantum 3
22483633 10.1016/j.ejmech.2012.03.039 Trypanosoma cruzi 1
23535320 10.1016/j.ejmech.2013.02.038 ADMET 1

Data from ChEMBL 36 via Core Engine