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Compound Detail

CHEMBL446825

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Cc1cc(Nc2ccccc2)n2ncnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446825
Phase Preclinical
Structure Type MOL
InChI Key RLASLOLCTAMGCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5
MW 225.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.45

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