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Compound Detail

CHEMBL3397474

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COC(=O)CC1Nc2ccccc2-c2ccc3c(c21)C1(OCC(C)(C)CO1)C(=O)N3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397474
Phase Preclinical
Structure Type MOL
InChI Key ZLELSBIGIIUDFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.59
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.75
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 C24H26N2O5
MW 422.48
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.43

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