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Compound Detail

CHEMBL2103777

THIOPHANATE
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CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103777
Name THIOPHANATE
Phase Preclinical
Structure Type MOL
InChI Key YFNCATAIYKQPOO-UHFFFAOYSA-N

Known Names

NSC-170810 Thiophanate
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names

Molecular Properties

370.5
MW (Da)
2.57
ALogP
6
HBA
4
HBD
100.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C14H18N4O4S2
MW 370.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium yoelii yoelii
CHEMBL612328
 IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium yoelii yoelii IC50 = 30000.0 nM 4.52 Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian... 18212104

Literature References

PubMed DOI Target Context # Activities
18212104 10.1128/aac.01043-07 Hepatocyte 1
18212104 10.1128/aac.01043-07 Plasmodium yoelii yoelii 1
18212104 10.1128/aac.01043-07 Unchecked 1

Data from ChEMBL 36 via Core Engine