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

CHEMBL64730

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=C1Nc2ccc(S(=O)(=O)N3CCCC3C(=O)Nc3ccccc3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64730
Phase Preclinical
Structure Type MOL
InChI Key VQLGPFBCZJQNDY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
1.61
ALogP
5
HBA
2
HBD
112.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O5S
MW 399.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11384246 10.1021/jm0100537 Caspase-3 1

Data from ChEMBL 36 via Core Engine