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Compound Detail

CHEMBL129213

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CCN(C)C(=O)CSc1cnc(NC(C)=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129213
Phase Preclinical
Structure Type MOL
InChI Key ZKNPWGYBOBLIRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
1.67
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15N3O2S2
MW 273.38
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -2.13

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