Compound Detail
CHEMBL5092737
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Basic Information
| ChEMBL ID | CHEMBL5092737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMGAPARDPFBXRB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.71
ALogP
7
HBA
2
HBD
100.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.73 | 7.3267 | 18.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 18.5 | nM | 7.73 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibit... | 34571173 |
| P2X purinoceptor 7 | IC50 | = | 18.62 | nM | 7.73 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibit... | 34571173 |
| P2X purinoceptor 7 | IC50 | = | 302.0 | nM | 6.52 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as reducti... | 34571173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34571173 | 10.1016/j.ejmech.2021.113838 | P2X purinoceptor 7 | 3 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | C-C chemokine receptor type 2 | 2 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | No relevant target | 1 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | Albumin | 1 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | ADMET | 1 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | P2X purinoceptor 1 | 1 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | P2X purinoceptor 2 | 1 |
| 34571173 | 10.1016/j.ejmech.2021.113838 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine