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Compound Detail

CHEMBL2042576

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CC(C)NC(=O)c1ccc2cccc([N+](=O)[O-])c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042576
Phase Preclinical
Structure Type MOL
InChI Key AATBWASKFJZCMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.28
ALogP
4
HBA
1
HBD
85.1
PSA (Ų)
0.68
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 C13H13N3O3
MW 259.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.58

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