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Compound Detail

CHEMBL568688

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Basic Information

ChEMBL ID CHEMBL568688
Phase Preclinical
Structure Type MOL
InChI Key QXTRPGAMVIONMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
0.68
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H7N3S
MW 129.19
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -2.67

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 2

Data from ChEMBL 36 via Core Engine