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Compound Detail

CHEMBL229617

SIGMOIDIN C
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CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229617
Name SIGMOIDIN C
Phase Preclinical
Structure Type MOL
InChI Key RFBNSYVWJNUVHE-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.69
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18O6
MW 354.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 2.65

Literature References

PubMed DOI Target Context # Activities
17489632 10.1021/np060477+ Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine