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Compound Detail

CHEMBL4636579

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Cc1[nH]c(C(=O)NC2CCOCC2)cc1Cc1ccc(C(F)(F)F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636579
Phase Preclinical
Structure Type MOL
InChI Key NIHJPFIWGBXRHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.24
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.87
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 C18H20F3N3O2
MW 367.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

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