Compound Detail
CHEMBL4640175
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Basic Information
| ChEMBL ID | CHEMBL4640175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDYZDHRELNHRNM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.7
MW (Da)
4.22
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 7.37 | 7.37 | 42.6 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.84 | 6.84 | 143.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 31.6 | nM | 7.5 | Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera... | 32345019 |
| P2X purinoceptor 4 | IC50 | = | 42.6 | nM | 7.37 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 32345019 |
| P2X purinoceptor 7 | IC50 | = | 143.0 | nM | 6.84 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 32345019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 1 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 2 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 3 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 4 | 1 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine