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Compound Detail

CHEMBL4171569

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COC(=O)C1=C[C@H](NC(=O)Nc2ccccc2OC)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171569
Phase Preclinical
Structure Type MOL
InChI Key PVSIUDJPBMQZDW-PCYHMHGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

579.6
MW (Da)
0.57
ALogP
12
HBA
3
HBD
193.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N3O12
MW 579.56
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
30108698 10.1039/C6MD00519E Hemagglutinin-neuraminidase 1

Data from ChEMBL 36 via Core Engine