Compound Detail
CHEMBL5169839
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Basic Information
| ChEMBL ID | CHEMBL5169839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBSKWWLMUCPUAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.17
ALogP
6
HBA
2
HBD
118.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | Ki | 4.59 | 4.59 | 25700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | Ki | = | 25700.0 | nM | 4.59 | Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using... | 34355184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355184 | 10.1039/D1MD00117E | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
Data from ChEMBL 36 via Core Engine