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Compound Detail

CHEMBL3402258

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CC(=O)OCc1c(C2CCCCC2)oc2ccc(NC(=O)c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3402258
Phase Preclinical
Structure Type MOL
InChI Key VJKGKCZPUJPBFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.16
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO5
MW 419.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 6100.0 nM 5.21 Inhibition of mouse IL5-mediated mouse Y16 cell proliferation after 48 hrs by WS... 25865130

Literature References

PubMed DOI Target Context # Activities
25865130 10.1016/j.bmc.2015.03.045 Interleukin-5 2

Data from ChEMBL 36 via Core Engine