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

CHEMBL4588998

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
Cc1ccc(C(=O)CCCCS(=O)(=O)c2ccc(C3=NCCO3)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588998
Phase Preclinical
Structure Type MOL
InChI Key STIAGEXUHIBJMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.66
ALogP
6
HBA
0
HBD
72.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO4S2
MW 391.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 3 1
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 2 1
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 1 1

Data from ChEMBL 36 via Core Engine