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Compound Detail

CHEMBL4858403

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COC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858403
Phase Preclinical
Structure Type MOL
InChI Key CWTRCSCVUVRNEL-BFPNUDOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
3.68
ALogP
9
HBA
1
HBD
110.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37NO9
MW 519.59
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 1.90

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