Compound Detail
CHEMBL3827513
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Basic Information
| ChEMBL ID | CHEMBL3827513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYVZPBJHFQQGEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.43
ALogP
7
HBA
2
HBD
112.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 7.0 | nM | 8.15 | Inhibition of ATX-mediated LPA release in human plasma after 3 hrs by mass spect... | 26745766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26745766 | 10.1021/acs.jmedchem.5b01599 | Autotaxin | 2 |
Data from ChEMBL 36 via Core Engine