| BioID | bio82921 |
|---|
| Name | DASABUVIR |
|---|
| ChEMBL ID | CHEMBL3137312 |
|---|
| Molecular Formula | C26H27N3O5S |
|---|
| Molecular Weight | 493.59 |
|---|
| Molecular Weight (Monoisotopic) | 493.1671 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar58 |
|---|
| Target Name | None |
|---|
| Synonyms | ABT-333|DASABUVIR |
|---|
| Smiles | COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C |
|---|
| Inchi | InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31) |
|---|
| Inchi Key | NBRBXGKOEOGLOI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | -0.68 |
|---|
| Records Key | ['DASABUVIR', 'Dasabuvir', 'DASABUVIR', 'dasabuvir', 'DASABUVIR', 'ABT-333', 'Dasabuvir', 'Dasabuvir', 'Dasabuvir', 'DASABUVIR', 'Dasabuvir', 'Dasabuvir', 'Dasabuvir'] |
|---|
| Records Name | ['DASABUVIR', 'Dasabuvir', 'DASABUVIR', 'dasabuvir', 'DASABUVIR', 'Dasabuvir', 'Dasabuvir', 'Dasabuvir', 'Dasabuvir', 'DASABUVIR', 'Dasabuvir', 'Dasabuvir', 'Dasabuvir'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
