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Compound Detail

CHEMBL444939

STEMANTHRENE D
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COc1cc(O)c(C)c2c1-c1ccc(O)c(OC)c1CC2

Basic Information

ChEMBL ID CHEMBL444939
Name STEMANTHRENE D
Phase Preclinical
Structure Type MOL
InChI Key MVMDETPHBOLVQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.19
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.89
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 C17H18O4
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.79

Activity Summary

IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4800.0 nM 5.32 Ex vivo inhibition of leukotriene formation in calcium ionophore activated human... 15679323

Literature References

PubMed DOI Target Context # Activities
15679323 10.1021/np0497043 Unchecked 1

Data from ChEMBL 36 via Core Engine