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Compound Detail

CHEMBL72893

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COCCNS(=O)(=O)c1ccc(Nc2ncc(Sc3ccccc3)c(-c3cnc4ccccn34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72893
Phase Preclinical
Structure Type MOL
InChI Key WZVCLSLYOBRFOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
4.61
ALogP
9
HBA
2
HBD
110.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N6O3S2
MW 532.65
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
15081017 10.1016/j.bmcl.2004.02.015 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine