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Compound Detail

CHEMBL1529387

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Cc1cc(NCc2ccccc2)n2ncnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1529387
Phase Preclinical
Structure Type MOL
InChI Key IGKUHHQUTNBCCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.04
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.76
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 C13H13N5
MW 239.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.32

Literature References

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

Data from ChEMBL 36 via Core Engine