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Compound Detail

CHEMBL1928013

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Cn1nc(-c2ncc(CO)s2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928013
Phase Preclinical
Structure Type MOL
InChI Key SXEMCEBCTDMZBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.19
ALogP
5
HBA
1
HBD
50.9
PSA (Ų)
0.75
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 C12H11N3OS
MW 245.31
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
21937231 10.1016/j.bmcl.2011.08.120 Unchecked 1

Data from ChEMBL 36 via Core Engine