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Compound Detail

CHEMBL1096408

ERYTHRIBYSSIN L
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CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C(O)C4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096408
Name ERYTHRIBYSSIN L
Phase Preclinical
Structure Type MOL
InChI Key HAOOQCMPFMLAJM-HRKCMRQESA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.59
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H28O5
MW 408.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.98

Activity Summary

IC50 2 meas. best 5.55
Ki 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sialidase
CHEMBL5189
 IC50 5.55 5.55 2790.0 1
Sialidase
CHEMBL5189
 Ki 5.38 5.38 4130.0 1
Sialidase
CHEMBL1075100
 IC50 4.57 4.57 27140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sialidase IC50 = 2790.0 nM 5.55 Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-... 20363636
Sialidase Ki = 4130.0 nM 5.38 Noncompetitive inhibition of Clostridium perfringens neuraminidase 20363636
Sialidase IC50 = 27140.0 nM 4.57 Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA ... 20363636

Literature References

PubMed DOI Target Context # Activities
20363636 10.1016/j.bmc.2010.03.005 Sialidase 11

Data from ChEMBL 36 via Core Engine