Compound Detail
CHEMBL562308
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Basic Information
| ChEMBL ID | CHEMBL562308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQMZXMVHHKXGTM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
3.77
ALogP
5
HBA
4
HBD
86.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.0 | 6.68 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... | 19191585 |
| P2X purinoceptor 7 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human P2X7R transfected in HEK293 cells | 31532206 |
| P2X purinoceptor 7 | IC50 | = | 92000.0 | nM | 4.04 | Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhib... | 31532206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31532206 | 10.1021/acs.jnatprod.9b00410 | P2X purinoceptor 4 | 2 |
| 31532206 | 10.1021/acs.jnatprod.9b00410 | P2X purinoceptor 7 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19191585 | 10.1021/jm801528x | P2X purinoceptor 7 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine