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Compound Detail

CHEMBL3952071

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C/C(=N\NC(N)=S)c1cc2ccccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3952071
Phase Preclinical
Structure Type MOL
InChI Key YWRLQMUSONFVRY-VGOFMYFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.35
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O2S
MW 261.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
26232353 10.1016/j.ejmech.2015.07.028 Amyloid-beta precursor protein 8
26232353 10.1016/j.ejmech.2015.07.028 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine