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Compound Detail

CHEMBL1322831

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O=C(Nc1ccccc1F)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1322831
Phase Preclinical
Structure Type MOL
InChI Key NFDGKRRKIIFBAB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
2.47
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.84
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 C12H9FN2O
MW 216.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28241112 10.1021/acs.jmedchem.6b01595 Leishmania infantum 1

Data from ChEMBL 36 via Core Engine