Compound Detail
CHEMBL210835
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Basic Information
| ChEMBL ID | CHEMBL210835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFRBXZXABYMLJL-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.7
MW (Da)
3.32
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.9 | 7.9 | 12.6 | 2 |
| THP-1 CHEMBL614245 | IC50 | 7.6 | 7.45 | 25.1 | 2 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 12.59 | nM | 7.9 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 16759108 |
| P2X purinoceptor 7 | IC50 | = | 12.59 | nM | 7.9 | Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... | 19191585 |
| THP-1 | IC50 | = | 25.12 | nM | 7.6 | Inhibition of ILbeta production in human THP1 cells | 16759108 |
| THP-1 | IC50 | = | 50.12 | nM | 7.3 | Ability to block pore formation in human THP1 cells assessed as inhibition of YO... | 16759108 |
| P2X purinoceptor 7 | IC50 | = | 50.12 | nM | 7.3 | Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assesse... | 16759108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759108 | 10.1021/jm051202e | P2X purinoceptor 7 | 2 |
| 16759108 | 10.1021/jm051202e | THP-1 | 2 |
| 19191585 | 10.1021/jm801528x | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine