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Compound Detail

CHEMBL4213302

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COC(=O)[C@]1(Cc2ccc3c(c2)C[C@@H](O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4213302
Phase Preclinical
Structure Type MOL
InChI Key NSXYYYUKWBLFQH-HOYKHHGWSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
2.45
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H24O8
MW 440.45
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.84

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
29295795 10.1016/j.bmcl.2017.12.049 Alpha glucosidase 1
29295795 10.1016/j.bmcl.2017.12.049 No relevant target 1

Data from ChEMBL 36 via Core Engine