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Compound Detail

CHEMBL471443

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CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471443
Phase Preclinical
Structure Type MOL
InChI Key GCMAQOABHCELHZ-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.96
ALogP
4
HBA
2
HBD
87.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O3S
MW 317.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.71

Activity Summary

EC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Simian immunodeficiency virus
CHEMBL613499
 EC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Simian immunodeficiency virus EC50 = 650.0 nM 6.19 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