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Compound Detail

CHEMBL382338

SANGGENON G
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CC(C)=CCCC1=C[C@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2cc(O)ccc2O)O3)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1

Basic Information

ChEMBL ID CHEMBL382338
Name SANGGENON G
Phase Preclinical
Structure Type MOL
InChI Key ZXTQHAMOONDJDJ-YTAXAHCSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

694.7
MW (Da)
7.48
ALogP
11
HBA
8
HBD
205.2
PSA (Ų)
0.05
QED
4
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 C40H38O11
MW 694.73
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness 1.87

Activity Summary

IC50 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
IC50 5.8 5.8 1600.0 1
Unchecked
CHEMBL612545
IC50 4.75 4.75 17800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 1600.0 nM 5.8 Inhibition of PTP1B 16356713
Unchecked IC50 = 17800.0 nM 4.75 Inhibition of PP1 16356713

Literature References

PubMed DOI Target Context # Activities
16356713 10.1016/j.bmcl.2005.11.071 Tyrosine-protein phosphatase non-receptor type 1 1
16356713 10.1016/j.bmcl.2005.11.071 Dual specificity protein phosphatase 3 1
16356713 10.1016/j.bmcl.2005.11.071 Unchecked 1

Data from ChEMBL 36 via Core Engine