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Compound Detail

CHEMBL4788907

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COC(=O)c1cc2c([nH]c3ccc([N+](=O)[O-])cc32)c(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788907
Phase Preclinical
Structure Type MOL
InChI Key SILCMMAWEVOWLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.72
ALogP
5
HBA
1
HBD
98.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O4
MW 285.26
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
26791014 10.1016/j.bmcl.2015.12.095 Leishmania donovani 1

Data from ChEMBL 36 via Core Engine