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Compound Detail

CHEMBL574554

QUINOSUAVEOLINE B
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COc1c2cc3c(cc2nc2occc12)O[C@@H](C(C)(C)O)CO3

Basic Information

ChEMBL ID CHEMBL574554
Name QUINOSUAVEOLINE B
Phase Preclinical
Structure Type MOL
InChI Key OXDIHTWLYDWMMZ-CQSZACIVSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
2.90
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.78
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 C17H17NO5
MW 315.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.67

Activity Summary

IC50 2 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
IC50 4.84 4.84 14500.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.25 4.25 56800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18950230 10.1021/np800276f Neutrophil 3
18950230 10.1021/np800276f NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine