Compound Detail
CHEMBL2338695
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Basic Information
| ChEMBL ID | CHEMBL2338695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIFXBNFNNPOWOG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.7
MW (Da)
5.34
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 7.31 | 7.31 | 48.8 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
| Transmembrane protease serine 4 CHEMBL2331048 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 48.8 | nM | 7.31 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 32345019 |
| P2X purinoceptor 1 | IC50 | = | 58.0 | nM | 7.24 | Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera... | 32345019 |
| P2X purinoceptor 7 | IC50 | = | 177.0 | nM | 6.75 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 32345019 |
| Transmembrane protease serine 4 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused ... | 23414802 |
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 |
| 23414802 | 10.1016/j.bmcl.2013.01.055 | Transmembrane protease serine 4 | 1 |
| 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