Compound Detail
CHEMBL3360898
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Basic Information
| ChEMBL ID | CHEMBL3360898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMZQZPPWCZCFSR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.40
ALogP
9
HBA
3
HBD
128.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 5.44 | 5.0167 | 3650.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 3650.0 | nM | 5.44 | Inhibition of human NPP1 using p-Nph-5'-TMP as substrate | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 3650.0 | nM | 5.44 | Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweav... | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 67900.0 | nM | 4.17 | 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