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Compound Detail

CHEMBL4159969

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COC(=O)C1=C[C@H](NC(=O)NCc2ccc(OC)cc2)[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 CHEMBL4159969
Phase Preclinical
Structure Type MOL
InChI Key XRURMJAGZFONDM-KZQIJMTJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

593.6
MW (Da)
0.25
ALogP
12
HBA
3
HBD
193.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N3O12
MW 593.59
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.34

Literature References

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

Data from ChEMBL 36 via Core Engine