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Compound Detail

CHEMBL167747

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

Basic Information

ChEMBL ID CHEMBL167747
Phase Preclinical
Structure Type MOL
InChI Key GJTOJTISYXBEID-LQQYEPNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.2
MW (Da)
-2.61
ALogP
6
HBA
5
HBD
168.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3O7
MW 301.25
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
9526555 10.1021/jm970374b Neuraminidase 1

Data from ChEMBL 36 via Core Engine