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

CHEMBL169884

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
O=C(O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(C1CCCC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169884
Phase Preclinical
Structure Type MOL
InChI Key JKQVJBQDERUIBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
4.94
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20Cl2O4
MW 395.28
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.99

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Felis catus
CHEMBL612670
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Felis catus IC50 = 1.0 nM 9.0 In vitro concentration required for 50% inhibition of swelling of cat cerebrocor... 3701792

Literature References

PubMed DOI Target Context # Activities
3701792 10.1021/jm00155a038 No relevant target 2
3701792 10.1021/jm00155a038 Felis catus 1

Data from ChEMBL 36 via Core Engine