Compound Detail
CHEMBL451082
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Basic Information
| ChEMBL ID | CHEMBL451082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPZWRMSWPVJWGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.20
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.22 | 5.22 | 5970.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 5970.0 | nM | 5.22 | Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as... | 23075067 |
| CCRF-CEM | IC50 | = | 52000.0 | nM | 4.28 | Antiproliferative activity against human CCRF-CEM cells after 48 hrs by MTT assa... | 18713666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20850910 | 10.1016/j.ejmech.2010.08.059 | HaCaT | 2 |
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 4 | 2 |
| 18713666 | 10.1016/j.bmc.2008.07.086 | CCRF-CEM | 1 |
| 20850910 | 10.1016/j.ejmech.2010.08.059 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine