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Compound Detail

CHEMBL1099089

ERYTHRIBYSSIN D
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CC1(C)Oc2ccc3c(c2CC1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1099089
Name ERYTHRIBYSSIN D
Phase Preclinical
Structure Type MOL
InChI Key ZCLUCQDBFSBCJB-OZIHFDBSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.08
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.77
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 C20H20O5
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.85

Activity Summary

IC50 2 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sialidase
CHEMBL1075100
 IC50 4.33 4.33 46200.0 1
Sialidase
CHEMBL5189
 IC50 4.11 4.11 77100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sialidase IC50 = 46200.0 nM 4.33 Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA ... 20363636
Sialidase IC50 = 77100.0 nM 4.11 Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-... 20363636

Literature References

PubMed DOI Target Context # Activities
20363636 10.1016/j.bmc.2010.03.005 Sialidase 8

Data from ChEMBL 36 via Core Engine