Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL574332

ORISUAVEOLINE B
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2c(=O)n3c(nc2c1)-c1[nH]c2cc4c(cc2c1CC3)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574332
Name ORISUAVEOLINE B
Phase Preclinical
Structure Type MOL
InChI Key XQLMMQLYXOMQKO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.84
ALogP
6
HBA
1
HBD
78.4
PSA (Ų)
0.56
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 C20H15N3O4
MW 361.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.05

Activity Summary

IC50 2 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
 IC50 4.65 4.65 22400.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.5 4.5 31800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil IC50 = 22400.0 nM 4.65 Immunomodulatory activity in polymorphoneutrophils assessed as inhibition of lum... 18950230
NON-PROTEIN TARGET IC50 = 31800.0 nM 4.5 Immunomodulatory activity in whole blood assessed as inhibition of luminol-induc... 18950230

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