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Compound Detail

CHEMBL4584246

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CN1CCN(c2ccc(C(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4584246
Phase Preclinical
Structure Type MOL
InChI Key VLDAIYQABMWVIL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.02
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O2
MW 429.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.66

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