Compound Detail
CHEMBL5200114
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5200114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBTFQHXBNQOCMQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
526.1
MW (Da)
5.09
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.54
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.0
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.45 | 5.45 | 3563.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | EC50 | 5.0 | 4.98 | 10050.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 55.0 | nM | 7.26 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 7 | IC50 | = | 3563.0 | nM | 5.45 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 4 | EC50 | = | 10050.0 | nM | 5.0 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 4 | EC50 | = | 10790.0 | nM | 4.97 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 4 | EC50 | = | 10780.0 | nM | 4.97 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 4 | 7 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | HeLa | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | Unchecked | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | HEK293 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 2 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 5 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine