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Compound Detail

CHEMBL467919

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FC(F)(F)c1cccc(-c2c[nH]c(-c3ccc(Cl)cc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467919
Phase Preclinical
Structure Type MOL
InChI Key NEKKFGFJEMKNNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.7
MW (Da)
5.42
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.67
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10ClF3N2
MW 322.72
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
20943396 10.1016/j.bmc.2010.09.029 Mus musculus 26
19394229 10.1016/j.bmc.2009.03.067 Sodium channel protein type 2 subunit alpha 3
26071857 10.1016/j.ejmech.2015.05.048 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine