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Compound Detail

CHEMBL3594282

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CCCCCC(=O)c1c(O)c(Br)c(OC)c(Br)c1O

Basic Information

ChEMBL ID CHEMBL3594282
Phase Preclinical
Structure Type MOL
InChI Key RJQGJIDUZSJGBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.1
MW (Da)
4.39
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16Br2O4
MW 396.08
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.94

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

Data from ChEMBL 36 via Core Engine