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Compound Detail

CHEMBL142840

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CN(C)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142840
Phase Preclinical
Structure Type MOL
InChI Key QIJHFXFAZCYBGP-LFYBBSHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.56
ALogP
4
HBA
0
HBD
63.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3
MW 296.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0385-3 Mycobacterium tuberculosis 2
9822551 10.1021/jm980410m Leishmania donovani 1
9822551 10.1021/jm980410m ADMET 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine