| Stem definition | Drug id | CAS RN |
|---|---|---|
| toll-like receptor antagonists | 1044 | 185955-34-4 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.05 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.01 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 51 hours | Lombardo F, Berellini G, Obach RS |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.41 | acidic |
| pKa2 | 4.63 | acidic |
| pKa3 | 5.46 | acidic |
| pKa4 | 8.63 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Toll-like receptor 4 | Membrane receptor | IC50 | 8.82 | CHEMBL |
| ID | Source |
|---|---|
| D04043 | KEGG_DRUG |
| 185954-98-7 | SECONDARY_CAS_RN |
| C1743645 | UMLSCUI |
| E55 | PDB_CHEM_ID |
| CHEMBL501259 | ChEMBL_ID |
| CHEMBL2364546 | ChEMBL_ID |
| CHEMBL3301672 | ChEMBL_ID |
| CHEMBL2364541 | ChEMBL_ID |
| DB04933 | DRUGBANK_ID |
| C512420 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4919 | IUPHAR_LIGAND_ID |
| 8562 | INN_ID |
| 551541VI0Y | UNII |
| 6912404 | PUBCHEM_CID |
None