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Compound Detail

CHEMBL3397475

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COC(=O)CC1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397475
Phase Preclinical
Structure Type MOL
InChI Key CCPLNOTWILHOQM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
2.51
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.62
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 C19H15NO5
MW 337.33
Aromatic Rings 2
Heavy Atoms 25
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