Compound Detail
CHEMBL431593
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Basic Information
| ChEMBL ID | CHEMBL431593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRCPLQZGDLBTNE-LCYFTJDESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.02
ALogP
6
HBA
0
HBD
65.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 4500.0 | nM | 5.35 | Inhibitory activity against graft vs host disease in rat. | - |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | 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