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Compound Detail

CHEMBL2436614

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

Basic Information

ChEMBL ID CHEMBL2436614
Name FICUSAL
Phase Preclinical
Structure Type MOL
InChI Key FHRVWMUANLCTEE-DYVFJYSZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.43
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O6
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.78

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma congolense
CHEMBL4296607
 IC50 5.02 5.02 9500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma congolense IC50 = 9500.0 nM 5.02 Trypanocidal activity against bloodstream form of Trypanosoma congolense IL3000 ... 30896183

Literature References

PubMed DOI Target Context # Activities
24035341 10.1016/j.bmcl.2013.08.004 RAW264.7 2
30896183 10.1021/acs.jnatprod.8b00670 Trypanosoma congolense 1

Data from ChEMBL 36 via Core Engine