Compound Detail
CHEMBL141579
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Basic Information
| ChEMBL ID | CHEMBL141579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXIWYZLGTUWLCD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
287.5
MW (Da)
3.76
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 8.23 | 8.23 | 5.9 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 5.9 | nM | 8.23 | Inhibition of mouse allogenic mixed leukocyte response (MLR) | - |
| Mus musculus | IC50 | = | 5.9 | nM | 8.23 | In vitro ability to inhibit mouse allogenic mixed leukocyte response (MLR) | - |
| Unchecked | IC50 | = | 5.9 | nM | 8.23 | Immunosuppressive activity on mouse allogenic MLR in vitro | 8893839 |
| NON-PROTEIN TARGET | IC50 | = | 5.9 | nM | 8.23 | Immunosuppressive activity in BALB/c/C57BL/6 mouse T cells assessed as inhibitio... | 21456524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893839 | 10.1021/jm960391l | Rattus norvegicus | 12 |
| - | 10.1016/0960-894X(95)00127-F | Rattus norvegicus | 5 |
| 21456524 | 10.1021/np2000528 | Rattus norvegicus | 3 |
| - | 10.1016/0960-894X(95)00126-E | Mus musculus | 1 |
| - | 10.1016/0960-894X(95)00127-F | Mus musculus | 1 |
| 8893839 | 10.1021/jm960391l | Unchecked | 1 |
| 8893839 | 10.1021/jm960391l | Mus musculus | 1 |
| 21456524 | 10.1021/np2000528 | NON-PROTEIN TARGET | 1 |
| 21456524 | 10.1021/np2000528 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine