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Compound Detail

CHEMBL4446989

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CN1CCN(c2ccc(S(=O)(=O)NC[C@H]3CC[C@H](C(=O)Nc4cccnc4)CC3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446989
Phase Preclinical
Structure Type MOL
InChI Key ALKVWNUCKPFXOV-MXVIHJGJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
2.56
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.64
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 C24H33N5O3S
MW 471.63
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.96

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