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Compound Detail

CHEMBL260301

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O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260301
Phase Preclinical
Structure Type MOL
InChI Key YODWYMRZKLKPGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

529.7
MW (Da)
7.54
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H31NO2S
MW 529.71
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.32

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