Compound Detail
CHEMBL4859945
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4859945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWHOWGZBAYNHCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.0
MW (Da)
6.77
ALogP
5
HBA
3
HBD
75.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of NPP3 (unknown origin) transfected in COS7 cells using pNP-TMP as s... | 33744686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744686 | 10.1016/j.ejmech.2021.113339 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
| 33744686 | 10.1016/j.ejmech.2021.113339 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine