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Compound Detail

CHEMBL3397470

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COC(=O)CC1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397470
Phase Preclinical
Structure Type MOL
InChI Key JZNMGJJLKMJXRE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.78
ALogP
5
HBA
0
HBD
84.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O5
MW 440.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25759031 10.1016/j.bmcl.2015.02.031 Oligo-1,6-glucosidase IMA1 1

Data from ChEMBL 36 via Core Engine