Compound Detail
CHEMBL5075634
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O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1sc(-c2ncccn2)nc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5075634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGPQIEDRTXLBES-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.9
MW (Da)
4.08
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 90.0 | nM | 7.05 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 33822617 |
| P2X purinoceptor 7 | IC50 | = | 95.0 | nM | 7.02 | Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as i... | 33822617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33822617 | 10.1021/acs.jmedchem.0c02249 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine