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Compound Detail

CHEMBL4173448

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O=c1c(OCCO)coc2cccc(CC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL4173448
Phase Preclinical
Structure Type MOL
InChI Key ATKCPYLHAUQCES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.29
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.92
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 C18H22O4
MW 302.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.27

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 17000.0 nM 4.77 Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 ... 28803045

Literature References

PubMed DOI Target Context # Activities
28803045 10.1016/j.ejmech.2017.07.069 Interleukin-5 2

Data from ChEMBL 36 via Core Engine