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Compound Detail

CHEMBL420038

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CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OC(CCCc1ccccc1)CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420038
Phase Preclinical
Structure Type MOL
InChI Key TXVFAGMTJMJDMF-OYUWMTPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.03
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N2O4
MW 464.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
9651151 10.1021/jm980162u Neuraminidase 2

Data from ChEMBL 36 via Core Engine