Compound Detail
CHEMBL3663309
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Basic Information
| ChEMBL ID | CHEMBL3663309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQBMKLDMCVZSGG-NSHDSACASA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.69
ALogP
8
HBA
0
HBD
119.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.58 | 7.58 | 26.4 | 3 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 5.14 | 5.14 | 7277.8 | 2 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 5.14 | 5.14 | 7278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 26.4 | nM | 7.58 | FLIPR Assay: Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mo... | - |
| P2X purinoceptor 7 | IC50 | = | 26.4 | nM | 7.58 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 26.4 | nM | 7.58 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
| P2X purinoceptor 7 | IC50 | = | 7277.8 | nM | 5.14 | FLIPR Assay: Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mo... | - |
| P2X purinoceptor 7 | IC50 | = | 7278.0 | nM | 5.14 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 7278.0 | nM | 5.14 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
Data from ChEMBL 36 via Core Engine