Compound Detail
CHEMBL100539
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Basic Information
| ChEMBL ID | CHEMBL100539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTUIDRJNCMLRAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.63
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | Kd | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Kd | = | 79.43 | nM | 7.1 | Antagonistic activity against the P2X7 ion channel | 14592505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592505 | 10.1016/j.bmcl.2003.08.034 | P2X purinoceptor 7 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine