Compound Detail
CHEMBL3679059
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Basic Information
| ChEMBL ID | CHEMBL3679059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRQCSOYTLVIPEY-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
6.00
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 10.05 | 8.7433 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 0.09 | nM | 10.05 | Binding Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-huma... | - |
| P2X purinoceptor 7 | IC50 | = | 0.09 | nM | 10.05 | In Vitro Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-hum... | - |
| P2X purinoceptor 7 | IC50 | = | 2.1 | nM | 8.68 | Binding Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-huma... | - |
| P2X purinoceptor 7 | IC50 | = | 2.1 | nM | 8.68 | In Vitro Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-hum... | - |
| P2X purinoceptor 7 | IC50 | = | 32.0 | nM | 7.5 | Binding Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-huma... | - |
| P2X purinoceptor 7 | IC50 | = | 32.0 | nM | 7.5 | In Vitro Assay: Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-hum... | - |
Data from ChEMBL 36 via Core Engine