Compound Detail
CHEMBL3360878
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Basic Information
| ChEMBL ID | CHEMBL3360878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIWJNGHQRPXRQL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.71
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 7.36 | 6.42 | 44.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 44.2 | nM | 7.36 | Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweav... | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 44.2 | nM | 7.36 | Inhibition of human NPP1 using p-Nph-5'-TMP as substrate | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 29200.0 | nM | 4.54 | 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