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Compound Detail

CHEMBL472650

GLAUCARUBOL
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CC1=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]35[C@H]([C@@H](C)[C@H]4O)[C@@H](O)C(=O)O[C@@H]5C[C@@H]12

Basic Information

ChEMBL ID CHEMBL472650
Name GLAUCARUBOL
Phase Preclinical
Structure Type MOL
InChI Key YJIBLZYQKYKXFP-GVLZQXCASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
-1.07
ALogP
8
HBA
5
HBD
136.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O8
MW 396.44
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 4.05

Literature References

PubMed DOI Target Context # Activities
9644063 10.1021/np980023f P388 1
19199792 10.1021/np800732n NON-PROTEIN TARGET 1
19199792 10.1021/np800732n HeLa 1
19199792 10.1021/np800732n Unchecked 1
19199792 10.1021/np800732n Transcription factor Jun 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1
24035092 10.1016/j.bmcl.2013.08.079 Receptor-type tyrosine-protein phosphatase beta 1

Data from ChEMBL 36 via Core Engine