Compound Detail
CHEMBL5826130
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Basic Information
| ChEMBL ID | CHEMBL5826130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAARVCKTUWACPA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.52
ALogP
7
HBA
2
HBD
130.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | IC50 | 9.66 | 9.36 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 0.22 | nM | 9.66 | ENPP1 Assay: Table 1: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0... | - |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 0.87 | nM | 9.06 | ENPP1 Assay: Table 1: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0... | - |
Data from ChEMBL 36 via Core Engine