Compound Detail
CHEMBL5556000
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Basic Information
| ChEMBL ID | CHEMBL5556000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFFVFJDDZZEUDD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
1.49
ALogP
5
HBA
3
HBD
119.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | IC50 | 9.8 | 8.655 | 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 | = | 0.16 | nM | 9.8 | Inhibition of human recombinant ENPP1 expressed in HEK293T cells using cGAMP as ... | 38387074 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 30.8 | nM | 7.51 | Inhibition of ENPP1 in human MDA-MB-231 cells using p-Nph-5'-TMP as substrate at... | 38387074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38387074 | 10.1021/acs.jmedchem.3c02288 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 2 |
Data from ChEMBL 36 via Core Engine