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Compound Detail

CHEMBL125352

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CC(=O)Nc1nc(CSc2cnc(NC(C)=O)s2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125352
Phase Preclinical
Structure Type MOL
InChI Key HBJJRZZQLQIHEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.81
ALogP
7
HBA
2
HBD
84.0
PSA (Ų)
0.82
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 C11H12N4O2S3
MW 328.44
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.19

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