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Compound Detail

CHEMBL510773

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c1ccc(-c2csc(Nc3cccnc3)n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510773
Phase Preclinical
Structure Type MOL
InChI Key FZCUWQXYKMJMIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.34
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N4S
MW 254.32
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.30

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