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Compound Detail

CHEMBL454647

NORKURARINOL
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C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454647
Name NORKURARINOL
Phase Preclinical
Structure Type MOL
InChI Key PFTQIVMILQKDQN-PEBXRYMYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.50
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H30O7
MW 442.51
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 2.42

Activity Summary

IC50 1 meas. best 4.74
Ki 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.74 4.74 18300.0 1
Unchecked
CHEMBL612545
 Ki 4.64 4.64 22700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 18300.0 nM 4.74 Inhibition of Clostridium perfringens neuraminidase 18938076
Unchecked Ki = 22700.0 nM 4.64 Inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot 18938076

Literature References

PubMed DOI Target Context # Activities
18938076 10.1016/j.bmcl.2008.10.033 Unchecked 2

Data from ChEMBL 36 via Core Engine