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Compound Detail

CHEMBL3402261

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CC(=O)OCc1c(-c2ccccc2)oc2ccc(NC(=O)c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3402261
Phase Preclinical
Structure Type MOL
InChI Key GXCRNVUAJLCZEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.78
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19NO5
MW 413.43
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 16000.0 nM 4.8 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