Compound Detail
CHEMBL83332
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Basic Information
| ChEMBL ID | CHEMBL83332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBBLNEBQSCLKBW-FLIBITNWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.23
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 4800.0 | nM | 5.32 | Inhibitory activity against graft vs host disease in rat. | - |
| Unchecked | IC50 | = | 8800.0 | nM | 5.06 | Inhibitory activity against protein kinase C from Jurkat cells. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80408-X | Unchecked | 2 |
| - | 10.1016/S0960-894X(01)80408-X | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine