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Compound Detail

CHEMBL3397469

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COC(=O)CC1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397469
Phase Preclinical
Structure Type MOL
InChI Key VKVRZUQQLXZXKM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.79
ALogP
6
HBA
0
HBD
93.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N2O6
MW 470.48
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.22

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