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Compound Detail

CHEMBL3398265

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C[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3398265
Phase Preclinical
Structure Type MOL
InChI Key DFPMSGMNTNDNHN-BJKFASDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
-1.17
ALogP
14
HBA
8
HBD
225.1
PSA (Ų)
0.20
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H32O14
MW 580.54
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 2.25

Literature References

PubMed DOI Target Context # Activities
25677658 10.1016/j.bmcl.2015.01.054 No relevant target 2

Data from ChEMBL 36 via Core Engine