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Compound Detail

CHEMBL4537131

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C[C@@H]1CN(c2ccc(S(=O)(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)cc2)C[C@H](C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4537131
Phase Preclinical
Structure Type MOL
InChI Key LMZHQAJXPUWBEO-KDURUIRLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
3.00
ALogP
6
HBA
3
HBD
103.4
PSA (Ų)
0.48
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 C25H29N5O3S
MW 479.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.59

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