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Compound Detail

CHEMBL4644890

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CCOC(=O)c1[nH]cc(Cc2c(F)cc(C(F)(F)F)cc2F)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644890
Phase Preclinical
Structure Type MOL
InChI Key FUVQCTXEUFAAHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
4.39
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.66
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 C16H14F5NO2
MW 347.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
32248693 10.1021/acs.jmedchem.0c00311 Unchecked 2
32248693 10.1021/acs.jmedchem.0c00311 Dihydroorotate dehydrogenase (quinone), mitochondrial 1
32248693 10.1021/acs.jmedchem.0c00311 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine