Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3594286

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCC(=O)c1c(O)c(Cl)c(C)c(Cl)c1O

Basic Information

ChEMBL ID CHEMBL3594286
Phase Preclinical
Structure Type MOL
InChI Key PCVSDQVOWQEFQZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.2
MW (Da)
4.48
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.62
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 C13H16Cl2O3
MW 291.17
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.78

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila IC50 = 3800.0 nM 5.42 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