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Compound Detail

CHEMBL5290427

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COc1cc(O)c2c(=O)c3cc(O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)ccc3oc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5290427
Phase Preclinical
Structure Type MOL
InChI Key AVZPRERNBNKYMD-ZMKOKQNLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
-0.15
ALogP
11
HBA
5
HBD
168.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O11
MW 450.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 1.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30282319 10.1016/j.ejmech.2018.07.073 Maltase-glucoamylase 1

Data from ChEMBL 36 via Core Engine