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Compound Detail

CHEMBL2042562

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CC(C)=Cc1ccc2cccc([N+](=O)[O-])c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042562
Phase Preclinical
Structure Type MOL
InChI Key LDJZIZJDQGERPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
3.57
ALogP
3
HBA
0
HBD
56.0
PSA (Ų)
0.58
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 C13H12N2O2
MW 228.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.79

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
22608675 10.1016/j.ejmech.2012.04.029 Unchecked 1

Data from ChEMBL 36 via Core Engine