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Compound Detail

CHEMBL126934

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CC(=O)Nc1ncc(SCc2ccccn2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126934
Phase Preclinical
Structure Type MOL
InChI Key QBIJITXIGVYJRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3OS2
MW 265.36
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.27

Literature References

PubMed DOI Target Context # Activities
12190313 10.1021/jm0201520 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine