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Compound Detail

CHEMBL1797570

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Cc1ccc(C2CC(c3cccs3)C3=C(O2)c2ccccc2C(=O)C3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797570
Phase Preclinical
Structure Type MOL
InChI Key RXZDXTGOHNWEQJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
5.48
ALogP
4
HBA
0
HBD
43.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18O3S
MW 386.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.11

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21450374 10.1016/j.ejmech.2011.03.012 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine