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Compound Detail

CHEMBL3581068

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O=c1cc(-c2ccc(O)cc2)oc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581068
Phase Preclinical
Structure Type MOL
InChI Key SIQKOOPSNYYQBQ-XGTPRPFSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
-2.09
ALogP
15
HBA
10
HBD
260.2
PSA (Ų)
0.15
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 C26H28O15
MW 580.50
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine