Compound Detail
CHEMBL4581989
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Basic Information
| ChEMBL ID | CHEMBL4581989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKHLXYQNODPLCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
3.92
ALogP
4
HBA
0
HBD
39.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3826871 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 15.0 | nM | 7.82 | Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis | 32134652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32134652 | 10.1021/acs.jmedchem.9b01967 | Autotaxin | 2 |
Data from ChEMBL 36 via Core Engine