Compound Detail
CHEMBL3360892
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3360892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGBAMKJRNWANOO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.68
ALogP
8
HBA
3
HBD
128.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 8.3 | 7.1167 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 5.0 | nM | 8.3 | Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweav... | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 5.0 | nM | 8.3 | Inhibition of human NPP1 using p-Nph-5'-TMP as substrate | 25372276 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Ki | = | 18000.0 | nM | 4.75 | 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