Compound Detail
CHEMBL4527934
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O=C(NC1CC1)c1cccc(S(=O)(=O)Oc2ccc(-c3cncn3C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4527934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNQZIJZHOOYGBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
615.7
MW (Da)
4.60
ALogP
9
HBA
1
HBD
153.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 152.0 | nM | 6.82 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 27427902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27427902 | 10.1021/acs.jmedchem.5b01690 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine