Compound Detail
CHEMBL5555976
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Basic Information
| ChEMBL ID | CHEMBL5555976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOMXFFBTDVKVJH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
2.31
ALogP
8
HBA
1
HBD
122.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | IC50 | 9.28 | 8.12 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 0.52 | nM | 9.28 | Inhibition of human ENPP1 using TMP-pNP as substrate at pH 9.5 preincubated for ... | 38359537 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human ENPP1 using AMP-pNP as substrate at pH 9.5 preincubated for ... | 38359537 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of ENPP1 (unknown origin) expressed in human MDA-MB-231 cells using T... | 38359537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359537 | 10.1016/j.ejmech.2024.116211 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 3 |
Data from ChEMBL 36 via Core Engine