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

CHEMBL4526707

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
COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(C)=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4526707
Phase Preclinical
Structure Type MOL
InChI Key RATHWHQMVNHBER-FLWKIERCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.40
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O7
MW 398.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.91

Activity Summary

IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma congolense
CHEMBL4296607
 IC50 5.12 5.12 7600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma congolense IC50 = 7600.0 nM 5.12 Trypanocidal activity against bloodstream form of Trypanosoma congolense IL3000 ... 30896183

Literature References

PubMed DOI Target Context # Activities
30896183 10.1021/acs.jnatprod.8b00670 Trypanosoma congolense 1

Data from ChEMBL 36 via Core Engine