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Compound Detail

CHEMBL4854350

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COC(=O)[C@@H]1C[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CN1C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4854350
Phase Preclinical
Structure Type MOL
InChI Key GBSKRNBAVNHRNS-YDRPBWNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
4.16
ALogP
9
HBA
0
HBD
102.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39NO9
MW 545.63
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.83

Literature References

PubMed DOI Target Context # Activities
33901900 10.1016/j.ejmech.2021.113454 Cysteine protease falcipain-2 2

Data from ChEMBL 36 via Core Engine