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Compound Detail

CHEMBL3594290

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CCCCCCCC(=O)c1c(OC)c(Cl)c(OC)c(Cl)c1OC

Basic Information

ChEMBL ID CHEMBL3594290
Phase Preclinical
Structure Type MOL
InChI Key HDPLIRGRDMNJKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
5.56
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24Cl2O4
MW 363.28
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.47

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
IC50 4.82 4.82 15300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila IC50 = 15300.0 nM 4.82 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

Data from ChEMBL 36 via Core Engine