Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL410131

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)/N=C/c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410131
Phase Preclinical
Structure Type MOL
InChI Key FLQGTOKNZSCXLT-TURZUDJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
6.35
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23NO2S2
MW 457.62
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.67

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