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

CHEMBL470627

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=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3)=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470627
Phase Preclinical
Structure Type MOL
InChI Key FFRIFSZHDAGIJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.39
ALogP
5
HBA
0
HBD
92.9
PSA (Ų)
0.63
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 C15H13N3O4S
MW 331.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.54

Activity Summary

EC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Simian immunodeficiency virus
CHEMBL613499
 EC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Simian immunodeficiency virus EC50 = 520.0 nM 6.28 Antiviral activity against SIV-induced syncytium in human CEM174 cells assessed ... 19297155

Literature References

PubMed DOI Target Context # Activities
19297155 10.1016/j.bmcl.2009.02.116 ADMET 2
19297155 10.1016/j.bmcl.2009.02.116 Simian immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine