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Compound Detail

CHEMBL4742687

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

Basic Information

ChEMBL ID CHEMBL4742687
Phase Preclinical
Structure Type MOL
InChI Key HXGHCXPLQZROGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.39
ALogP
4
HBA
2
HBD
81.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O2
MW 255.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.10

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