Compound Detail
CHEMBL138231
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 | CHEMBL138231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAJZSLNFQZKPAG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
2.98
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 270.0 | nM | 6.57 | Inhibition of mouse allogenic mixed leukocyte response (MLR) | - |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Immunosuppressive activity on mouse allogenic MLR in vitro | 8893839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00126-E | Mus musculus | 1 |
| 8893839 | 10.1021/jm960391l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine