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Compound Detail

CHEMBL5172394

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CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3cccnc3c2)[C@H]1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172394
Phase Preclinical
Structure Type MOL
InChI Key RBDGGVPMVDSWSY-YTFSRNRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.19
ALogP
5
HBA
3
HBD
100.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O4
MW 425.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
34735766 10.1021/acs.jmedchem.1c01366 Unchecked 3
34735766 10.1021/acs.jmedchem.1c01366 Neuraminidase 1

Data from ChEMBL 36 via Core Engine