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Compound Detail

CHEMBL3798825

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CO[C@H]1O[C@H]([C@@H](O)CNC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798825
Phase Preclinical
Structure Type MOL
InChI Key BQTJYRUGGNOTQG-CUBHAZCTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
-1.77
ALogP
7
HBA
5
HBD
128.5
PSA (Ų)
0.43
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 C15H21NO7
MW 327.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00557D Lectin 1

Data from ChEMBL 36 via Core Engine