Compound Detail
CHEMBL4438238
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 | CHEMBL4438238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHJDOTVTYUYLEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
2.65
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3826871 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 30.0 | nM | 7.52 | 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 | 1 |
Data from ChEMBL 36 via Core Engine