Compound Detail
CHEMBL4573280
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Basic Information
| ChEMBL ID | CHEMBL4573280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLXXCOIPVBBGOV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
5.77
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
| Autotaxin CHEMBL3691 | IC50 | 6.17 | 6.17 | 679.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | IC50 | = | 214.0 | nM | 6.67 | Inhibition of human NPP3 expressed in African green monkey COS7 cell membranes p... | 31088715 |
| Autotaxin | IC50 | = | 679.0 | nM | 6.17 | Inhibition of human NPP2 expressed in African green monkey COS7 cell membranes p... | 31088715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31088715 | 10.1016/j.bmc.2019.04.031 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 2 |
| 31088715 | 10.1016/j.bmc.2019.04.031 | Autotaxin | 1 |
| 31088715 | 10.1016/j.bmc.2019.04.031 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 1 |
Data from ChEMBL 36 via Core Engine