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Compound Detail

CHEMBL5287620

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COc1cc(O)c2c(=O)c3c(O)c(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 CHEMBL5287620
Phase Preclinical
Structure Type MOL
InChI Key MQLIUXPJHVQKKI-ZEVATSHXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
-0.45
ALogP
12
HBA
6
HBD
188.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O12
MW 466.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 2.11

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
30282319 10.1016/j.ejmech.2018.07.073 Maltase-glucoamylase 2

Data from ChEMBL 36 via Core Engine