Compound Detail
CHEMBL5179873
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NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)c(S(N)(=O)=O)c3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5179873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGSMGEZYEAHASW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
2.99
ALogP
7
HBA
3
HBD
158.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | Ki | 5.48 | 5.48 | 3340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | Ki | = | 3340.0 | nM | 5.48 | 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