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Compound Detail

CHEMBL513458

STEMOFURAN G
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COc1cc(-c2cc3c(O)c(C)ccc3o2)c(C)c(O)c1C

Basic Information

ChEMBL ID CHEMBL513458
Name STEMOFURAN G
Phase Preclinical
Structure Type MOL
InChI Key RWBWMAOKPGSLMN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
4.44
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.73
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 C18H18O4
MW 298.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.02

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3700.0 nM 5.43 Ex vivo inhibition of leukotriene formation in calcium ionophore activated human... 15679323

Literature References

PubMed DOI Target Context # Activities
12088422 10.1021/np0105073 Alternaria citri 3
12088422 10.1021/np0105073 Pyricularia grisea 3
12088422 10.1021/np0105073 Cladosporium herbarum 3
12088422 10.1021/np0105073 Fusarium avenaceum 2
12088422 10.1021/np0105073 Botrytis cinerea 2
15679323 10.1021/np0497043 Unchecked 2

Data from ChEMBL 36 via Core Engine