| BioID | bio3251 |
|---|
| Name | LAFUTIDINE |
|---|
| ChEMBL ID | CHEMBL1742461 |
|---|
| Molecular Formula | C22H29N3O4S |
|---|
| Molecular Weight | 431.56 |
|---|
| Molecular Weight (Monoisotopic) | 431.1879 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LAFUTIDINA|LAFUTIDINE |
|---|
| Smiles | O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 |
|---|
| Inchi | InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2- |
|---|
| Inchi Key | KMZQAVXSMUKBPD-DJWKRKHSSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 61.0 |
|---|
| Bioactivities | 80.0 |
|---|
| Np Likeness Score | -1.11 |
|---|
| Records Key | ['SID170465978', 'SID144205732', 'LAFUTIDINE', 'Lafutidine', 'LAFUTIDINE', 'LAFUTIDINE', 'Lafutidine', 'Lafutidine', 'LAFUTIDINE', 'Lafutidine', 'COVC-3360271171', 'lafutidine'] |
|---|
| Records Name | ['SID170465978', 'SID144205732', 'LAFUTIDINE', 'Lafutidine', 'LAFUTIDINE', 'LAFUTIDINE', 'Lafutidine', 'Lafutidine', 'LAFUTIDINE', 'Lafutidine', 'LAFUTIDINE', 'lafutidine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
