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Compound Detail

CHEMBL129563

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COC(=O)c1ccc(CSc2cnc(NC(C)=O)s2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129563
Phase Preclinical
Structure Type MOL
InChI Key MUSZTLWGQUNGAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.77
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.68
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 C12H12N2O4S2
MW 312.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.71

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