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Compound Detail

CHEMBL4865898

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CCNNC(=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 CHEMBL4865898
Phase Preclinical
Structure Type MOL
InChI Key KQGBYRWPIXMUHK-RRFJBIMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
0.67
ALogP
5
HBA
5
HBD
128.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30N4O5
MW 370.45
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.50

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL6135
 IC50 6.24 6.24 576.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase IC50 = 576.0 nM 6.24 Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase using MUNANA... 34082224

Literature References

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

Data from ChEMBL 36 via Core Engine