Compound Detail
CHEMBL4465051
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Basic Information
| ChEMBL ID | CHEMBL4465051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMAAJBBKZDCAKZ-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.8
MW (Da)
4.20
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 4.5 | nM | 8.35 | Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells... | 27426304 |
| P2X purinoceptor 7 | IC50 | = | 64.0 | nM | 7.19 | Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as i... | 27426304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27426304 | 10.1016/j.bmcl.2016.06.048 | P2X purinoceptor 7 | 2 |
| 27426304 | 10.1016/j.bmcl.2016.06.048 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine