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Compound Detail

CHEMBL3143891

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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL3143891
Phase Preclinical
Structure Type MOL
InChI Key PEFASEPMJYRQBW-DQNJWZGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

740.7
MW (Da)
-2.89
ALogP
19
HBA
11
HBD
308.1
PSA (Ų)
0.11
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 C33H40O19
MW 740.66
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
10096854 10.1021/np980431j Monocyte 1
10096854 10.1021/np980431j ADMET 1
22775441 10.1021/np300292f RAW264.7 1

Data from ChEMBL 36 via Core Engine