Compound Detail
CHEMBL4471140
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Basic Information
| ChEMBL ID | CHEMBL4471140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWXLPHQAQADBDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
3.75
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed a... | 31746599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746599 | 10.1021/acs.jmedchem.9b01304 | P2X purinoceptor 4 | 1 |
| 31746599 | 10.1021/acs.jmedchem.9b01304 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 31746599 | 10.1021/acs.jmedchem.9b01304 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine