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Compound Detail

CHEMBL3397465

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COC(=O)CC1Nc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397465
Phase Preclinical
Structure Type MOL
InChI Key TUVUPLJKKGINSY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.85
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.67
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 C20H18N2O4
MW 350.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.33

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