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Compound Detail

CHEMBL3358629

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OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358629
Phase Preclinical
Structure Type MOL
InChI Key LKONNCIGQKWLIG-GZBLMMOJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
-3.38
ALogP
12
HBA
5
HBD
168.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H27N3O9
MW 393.39
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.29

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
25419855 10.1021/jm500038p PA-I galactophilic lectin 1

Data from ChEMBL 36 via Core Engine