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Compound Detail

CHEMBL5205333

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CC(=O)OC[C@H]1O[C@@H](OCc2cn(C3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205333
Phase Preclinical
Structure Type MOL
InChI Key HPBNORJXKSVFLB-CIGUBIAISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

655.6
MW (Da)
1.40
ALogP
16
HBA
0
HBD
197.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33N3O13
MW 655.61
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness 0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33158575 10.1016/j.ejmech.2020.112962 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine