| BioID | bio2701 |
|---|
| Name | BILASTINE |
|---|
| ChEMBL ID | CHEMBL1742423 |
|---|
| Molecular Formula | C28H37N3O3 |
|---|
| Molecular Weight | 463.62 |
|---|
| Molecular Weight (Monoisotopic) | 463.2835 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BILASTINA|BILASTINE|ILAXTEN |
|---|
| Smiles | CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21 |
|---|
| Inchi | InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33) |
|---|
| Inchi Key | ACCMWZWAEFYUGZ-UHFFFAOYSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | -1.24 |
|---|
| Records Key | ['SID170466329', 'BILASTINE', 'BILASTINE', 'BILASTINE', 'BILASTINE', 'Bilastine', 'Bilastine', 'Bilastine', 'BILASTINE', 'Bilastine'] |
|---|
| Records Name | ['SID170466329', 'BILASTINE', 'BILASTINE', 'BILASTINE', 'BILASTINE', 'Bilastine', 'Bilastine', 'Bilastine', 'BILASTINE', 'Bilastine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
