Compound Detail
CHEMBL153483
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Basic Information
| ChEMBL ID | CHEMBL153483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVYCRVHJUXXHSO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.8
MW (Da)
3.94
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Huntingtin CHEMBL5514 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration against T cell proliferation using concanavalin A stimu... | 11229767 |
| Unchecked | IC50 | = | 630.0 | nM | 6.2 | Inhibition of NF-kappaB activation | 19726185 |
| Huntingtin | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of Huntingtin protein aggregation by cell based assay | 19243939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229767 | 10.1016/s0960-894x(00)00718-6 | ADMET | 2 |
| 11229767 | 10.1016/s0960-894x(00)00718-6 | T-cell | 1 |
| 19243939 | 10.1016/j.bmcl.2009.01.087 | Huntingtin | 1 |
| 19726185 | 10.1016/j.bmcl.2009.08.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine