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Compound Detail

CHEMBL341286

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COC(=O)C(Sc1cnc(NC(C)=O)s1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341286
Phase Preclinical
Structure Type MOL
InChI Key NGGLVKHBJUDHPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.5
MW (Da)
3.32
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.66
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 C14H20N2O3S2
MW 328.46
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.95

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