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Compound Detail

CHEMBL86132

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CCCCCCSc1nc(N)c(NC=O)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86132
Phase Preclinical
Structure Type MOL
InChI Key VILKNUJQRFKFOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
2.01
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N4O2S
MW 270.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
8691450 10.1021/jm950876u Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine