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Compound Detail

CHEMBL4533638

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O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4533638
Phase Preclinical
Structure Type MOL
InChI Key WKOHKYCFOXUCHY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
3.80
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O3S
MW 450.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31706668 10.1016/j.bmcl.2019.126778 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine