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Compound Detail

CHEMBL2316365

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CC(C)(C)c1ccc(C(=O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316365
Phase Preclinical
Structure Type MOL
InChI Key AJNHJMAPMQYZQB-SAPNQHFASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
6.95
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32O4
MW 444.57
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.74 4.74 18100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 18100.0 nM 4.74 Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay 23202848

Literature References

PubMed DOI Target Context # Activities
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2

Data from ChEMBL 36 via Core Engine