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Compound Detail

CHEMBL4749448

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COCC(=O)Nc1ccc2[nH]c3c(C)nc(C(=O)OC)cc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749448
Phase Preclinical
Structure Type MOL
InChI Key QPPDUABYDGXDCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
2.40
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O4
MW 327.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.01

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