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Compound Detail

CHEMBL83516

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CCCCCSc1nc(N)c(NC=O)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83516
Phase Preclinical
Structure Type MOL
InChI Key UJNBGGDNLKTDMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.61
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N4O2S
MW 256.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.04

Literature References

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

Data from ChEMBL 36 via Core Engine