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Compound Detail

CHEMBL126788

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CCOC(=O)CCCCCSc1cnc(NC(C)=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126788
Phase Preclinical
Structure Type MOL
InChI Key COJUFWQOBJUIJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N2O3S2
MW 316.45
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.09

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