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Compound Detail

CHEMBL2336749

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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(COC(=O)c4ccccc4)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336749
Phase Preclinical
Structure Type MOL
InChI Key ATFPEGWAMNHQHJ-WTVFMWFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
-0.93
ALogP
12
HBA
6
HBD
184.6
PSA (Ų)
0.23
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H32O12
MW 536.53
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.16

Literature References

PubMed DOI Target Context # Activities
23356964 10.1021/np300609u Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine