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Compound Detail

CHEMBL487517

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Cc1cc(Nc2ccc(C(N)=O)cc2)n2ncnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487517
Phase Preclinical
Structure Type MOL
InChI Key JOIXQURJISBNJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
1.28
ALogP
6
HBA
2
HBD
98.2
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 C13H12N6O
MW 268.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.36

Literature References

PubMed DOI Target Context # Activities
18522386 10.1021/jm8001026 Dihydroorotate dehydrogenase 1
18522386 10.1021/jm8001026 Plasmodium falciparum 1
18522386 10.1021/jm8001026 Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine