Compound Detail
CHEMBL2313213
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Basic Information
| ChEMBL ID | CHEMBL2313213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJZGVGGXZKPYHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.69
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | Ki | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | Ki | = | 10300.0 | nM | 4.99 | Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using... | 34355184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23237838 | 10.1016/j.bmcl.2012.11.030 | Unchecked | 2 |
| 23237838 | 10.1016/j.bmcl.2012.11.030 | Prostaglandin G/H synthase 2 | 1 |
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 9 | 1 |
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 2 | 1 |
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 1 | 1 |
| 34355184 | 10.1039/D1MD00117E | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
Data from ChEMBL 36 via Core Engine