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Compound Detail

CHEMBL121898

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Cc1n[nH]c(Nc2ccc(N)cc2)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121898
Phase Preclinical
Structure Type MOL
InChI Key VLESXSUTZCAGQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
1.92
ALogP
4
HBA
3
HBD
90.5
PSA (Ų)
0.66
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 C11H11N5
MW 213.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.63

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