Compound Detail
CHEMBL1483754
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 | CHEMBL1483754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXPHORZRPXNFCG-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.77
ALogP
1
HBA
0
HBD
23.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 4.6 | 4.6 | 25200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.52 | 4.52 | 30034.0 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 4.16 | 4.16 | 69800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2020.0 | nM | 5.7 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
| P2X purinoceptor 4 | IC50 | = | 11400.0 | nM | 4.94 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 24411477 |
| P2X purinoceptor 3 | IC50 | = | 14200.0 | nM | 4.85 | Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells asses... | 24411477 |
| P2X purinoceptor 1 | IC50 | = | 25200.0 | nM | 4.6 | Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells asses... | 24411477 |
| Unchecked | EC50 | = | 30034.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| P2X purinoceptor 4 | IC50 | = | 43000.0 | nM | 4.37 | Antagonist activity at rat P2X4 receptor assessed as inhibition of ATP-induced c... | 24411477 |
| P2X purinoceptor 7 | IC50 | = | 69800.0 | nM | 4.16 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 24411477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 4 | 5 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 2 | 2 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | Unchecked | 1 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 7 | 1 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 3 | 1 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine