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Compound Detail

CHEMBL1784596

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Cc1cc(NOc2ccccc2)n2ncnc2n1

Basic Information

ChEMBL ID CHEMBL1784596
Phase Preclinical
Structure Type MOL
InChI Key WEPBGXVZVCLJHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.84
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.71
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 C12H11N5O
MW 241.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase 1
21517059 10.1021/jm200265b Unchecked 1
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase (quinone), mitochondrial 1
21517059 10.1021/jm200265b Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine