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Compound Detail

CHEMBL1164199

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O=c1c(-c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL1164199
Phase Preclinical
Structure Type MOL
InChI Key ZBPRFMSQYTURQA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
5.12
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.71
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O4
MW 350.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.39

Activity Summary

IC50 3 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 5.24 5.24 5800.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20472438 10.1016/j.bmc.2010.04.075 Interleukin-5 2
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2

Data from ChEMBL 36 via Core Engine