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Compound Detail

CHEMBL409296

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O=C(O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409296
Phase Preclinical
Structure Type MOL
InChI Key AECGEIVNZGQBJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
5.19
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20O2S
MW 348.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
18266314 10.1021/jm070606z Kinesin-like protein KIF11 1
18266314 10.1021/jm070606z HeLa 1

Data from ChEMBL 36 via Core Engine