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

CHEMBL563569

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(Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c(=O)n([C@H]3CCNC3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563569
Phase Preclinical
Structure Type MOL
InChI Key WMIXZNOXBDESFU-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
4.39
ALogP
4
HBA
2
HBD
63.1
PSA (Ų)
0.62
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 C22H19ClF3N3O2
MW 449.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P2X purinoceptor 7
CHEMBL4805
 IC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P2X purinoceptor 7 IC50 = 15.85 nM 7.8 Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... 19191585

Literature References

PubMed DOI Target Context # Activities
19191585 10.1021/jm801528x P2X purinoceptor 7 1

Data from ChEMBL 36 via Core Engine