Compound Detail
CHEMBL4753995
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Basic Information
| ChEMBL ID | CHEMBL4753995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEGRDVRXLHDXHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
5.47
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human recombinant NPP3 expressed in COS-7 cell membrane at 100 uM ... | 32883636 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of human recombinant NPP1 expressed in COS-7 cell membrane at 100 uM ... | 32883636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883636 | 10.1016/j.ejmech.2020.112759 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 1 |
| 32883636 | 10.1016/j.ejmech.2020.112759 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
Data from ChEMBL 36 via Core Engine