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Compound Detail

CHEMBL3594292

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CCCCCCCC(=O)c1c(O)c(Cl)c(O)c(Cl)c1O

Basic Information

ChEMBL ID CHEMBL3594292
Phase Preclinical
Structure Type MOL
InChI Key FMISKCMSQUKBKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
4.65
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18Cl2O4
MW 321.20
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.76

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
IC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila IC50 = 3700.0 nM 5.43 Immunosuppressive activity in Drosophila S2 cells expressing att-luc reporter ge... 26122773

Literature References

PubMed DOI Target Context # Activities
26122773 10.1016/j.bmc.2015.06.027 Drosophila 3
26122773 10.1016/j.bmc.2015.06.027 Jurkat 2

Data from ChEMBL 36 via Core Engine