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Compound Detail

CHEMBL5413945

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O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5413945
Phase Preclinical
Structure Type MOL
InChI Key MXSJAPIEXXAEKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.7
MW (Da)
4.32
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9ClF3NO2
MW 315.68
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
36565533 10.1016/j.ejmech.2022.114996 Leishmania donovani 1
36565533 10.1016/j.ejmech.2022.114996 J774.A1 1
36565533 10.1016/j.ejmech.2022.114996 Vero 1

Data from ChEMBL 36 via Core Engine