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Compound Detail

CHEMBL118727

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N#Cc1c(-c2ccco2)n[nH]c1Nc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118727
Phase Preclinical
Structure Type MOL
InChI Key PUMMCPNSMXECDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
4.30
ALogP
4
HBA
2
HBD
77.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9F3N4O
MW 318.26
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
9719606 10.1021/jm981028c Mus musculus 1
9719606 10.1021/jm981028c Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine