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Compound Detail

CHEMBL523626

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c1ccc(-c2csc(-c3ccccn3)n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523626
Phase Preclinical
Structure Type MOL
InChI Key AQRRBNTVDFDFLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
3.27
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.69
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 C13H9N3S
MW 239.30
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
18774291 10.1016/j.bmcl.2008.08.023 Small conductance calcium-activated potassium channel protein 3 2

Data from ChEMBL 36 via Core Engine