Compound Detail
CHEMBL3360901
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Basic Information
| ChEMBL ID | CHEMBL3360901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYXYUNUYLFOUAX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
0.69
ALogP
7
HBA
4
HBD
142.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 7.45 | 6.5167 | 35.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 35.8 | nM | 7.45 | Inhibition of human NPP1 using p-Nph-5'-TMP as substrate | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 35.8 | nM | 7.45 | Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweav... | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 22500.0 | nM | 4.65 | Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk p... | 25372276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25372276 | 10.1021/jm501434y | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 4 |
Data from ChEMBL 36 via Core Engine