Compound Detail
CHEMBL208560
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
Basic Information
| ChEMBL ID | CHEMBL208560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLHYVOKTJUIONG-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
3.70
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.4 | 7.4 | 39.8 | 3 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.12 | 7.11 | 75.9 | 2 |
| THP-1 CHEMBL614245 | IC50 | 6.3 | 5.8333 | 501.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 39.81 | nM | 7.4 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 16759108 |
| P2X purinoceptor 7 | IC50 | = | 39.81 | nM | 7.4 | Antagonist activity at human recombinant P2X7 receptor | 17482819 |
| P2X purinoceptor 7 | IC50 | = | 39.81 | nM | 7.4 | Antagonist activity at P2X7 receptor (unknown origin) | 24314880 |
| P2X purinoceptor 7 | IC50 | = | 75.86 | nM | 7.12 | Antagonist activity at rat recombinant P2X7 receptor | 17482819 |
| P2X purinoceptor 7 | IC50 | = | 79.43 | nM | 7.1 | Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assesse... | 16759108 |
| THP-1 | IC50 | = | 501.19 | nM | 6.3 | Ability to block pore formation in human THP1 cells assessed as inhibition of YO... | 16759108 |
| THP-1 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of ILbeta production in human THP1 cells | 16759108 |
| THP-1 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of IL1-beta release from THP1 cells | 17482819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759108 | 10.1021/jm051202e | P2X purinoceptor 7 | 2 |
| 16759108 | 10.1021/jm051202e | THP-1 | 2 |
| 17482819 | 10.1016/j.bmcl.2007.04.075 | P2X purinoceptor 7 | 2 |
| 17482819 | 10.1016/j.bmcl.2007.04.075 | THP-1 | 1 |
| 24314880 | 10.1016/j.bmc.2013.10.054 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine