Compound Detail
CHEMBL2016831
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Basic Information
| ChEMBL ID | CHEMBL2016831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCXUWUSLCOUART-IDRAWEHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.65
ALogP
4
HBA
1
HBD
41.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8490.0 | nM | 5.07 | Immunosuppressive activity in anti-CD3/anti-CD8 co-stimulated Balb/c mouse lymph... | 22494616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22494616 | 10.1016/j.bmcl.2012.03.080 | NON-PROTEIN TARGET | 1 |
| 22494616 | 10.1016/j.bmcl.2012.03.080 | ADMET | 1 |
| 22494616 | 10.1016/j.bmcl.2012.03.080 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine