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Compound Detail

CHEMBL1956482

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Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(OCCN(C)C)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956482
Phase Preclinical
Structure Type MOL
InChI Key FFWLKDXSVANUON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.77
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19F5N6OS
MW 438.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
21696174 10.1021/jm200592f Plasmodium falciparum 1
21696174 10.1021/jm200592f Dihydroorotate dehydrogenase (quinone), mitochondrial 1
21696174 10.1021/jm200592f Unchecked 1
21696174 10.1021/jm200592f Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine