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Compound Detail

CHEMBL2377405

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

Basic Information

ChEMBL ID CHEMBL2377405
Phase Preclinical
Structure Type MOL
InChI Key YURJXMTYTWJRMP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.12
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28O5
MW 408.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.41

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 5.4 5.4 4000.0 1
Interleukin-5
CHEMBL1169600
IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 4000.0 nM 5.4 Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay 23523388
Interleukin-5 IC50 = 4000.0 nM 5.4 Inhibition of IL-5 (unknown origin) 37925088

Literature References

PubMed DOI Target Context # Activities
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2
37925088 10.1016/j.bmcl.2023.129539 Interleukin-5 1

Data from ChEMBL 36 via Core Engine