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Compound Detail

CHEMBL4853180

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CCCCCCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853180
Phase Preclinical
Structure Type MOL
InChI Key LBFTUCXZOZGCQT-PWRODBHTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
3.01
ALogP
5
HBA
5
HBD
128.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H42N4O5
MW 454.61
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
34082224 10.1016/j.ejmech.2021.113567 Neuraminidase 1

Data from ChEMBL 36 via Core Engine