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Compound Detail

CHEMBL3397467

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CN1C(=O)C(=O)c2c1ccc1c2C(CC(=O)O)Nc2ccccc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397467
Phase Preclinical
Structure Type MOL
InChI Key ISPLVTADNADZEL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.45
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O4
MW 322.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.40

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25759031 10.1016/j.bmcl.2015.02.031 Oligo-1,6-glucosidase IMA1 1
27487567 10.1016/j.ejmech.2016.07.044 Unchecked 1

Data from ChEMBL 36 via Core Engine