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Compound Detail

CHEMBL1173222

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O=c1c(CNC(CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173222
Phase Preclinical
Structure Type MOL
InChI Key ZHMNEHUEHZCUSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
5.17
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37NO4
MW 427.59
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.76 4.76 17300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 17300.0 nM 4.76 Inhibition of interleukin-5 in mouse Y16 cells 20627591

Literature References

PubMed DOI Target Context # Activities
20627591 10.1016/j.bmc.2010.05.028 Interleukin-5 2

Data from ChEMBL 36 via Core Engine