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Compound Detail

CHEMBL464406

LEONURISIDE
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COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464406
Name LEONURISIDE
Phase Preclinical
Structure Type MOL
InChI Key NOQYJICHFNSIFZ-DIACKHNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
-1.41
ALogP
9
HBA
5
HBD
138.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H20O9
MW 332.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.94

Literature References

PubMed DOI Target Context # Activities
19943620 10.1021/np9006298 MCF7 4
19943620 10.1021/np9006298 T47D 4
17125236 10.1021/np060284m A549 1
17125236 10.1021/np060284m A2780 1
17125236 10.1021/np060284m Bel-7402 1
17125236 10.1021/np060284m BGC-823 1
17125236 10.1021/np060284m HCT-8 1
17125236 10.1021/np060284m Tyrosine-protein phosphatase non-receptor type 1 1
17125236 10.1021/np060284m Prothrombin 1
31301930 10.1016/j.bmcl.2019.07.010 RAW264.7 1

Data from ChEMBL 36 via Core Engine