| BioID | bio2744 |
|---|
| Name | AVACOPAN |
|---|
| ChEMBL ID | CHEMBL3989871 |
|---|
| Molecular Formula | C33H35F4N3O2 |
|---|
| Molecular Weight | 581.65 |
|---|
| Molecular Weight (Monoisotopic) | 581.2665 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AVACOPAN|CCX-168|CCX168|Tavneos |
|---|
| Smiles | Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F |
|---|
| Inchi | InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1 |
|---|
| Inchi Key | PUKBOVABABRILL-YZNIXAGQSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.25 |
|---|
| Records Key | ['AVACOPAN', 'AVACOPAN', 'avacopan', 'avacopan', 'AVACOPAN', 'AVACOPAN', 'AVACOPAN'] |
|---|
| Records Name | ['AVACOPAN', 'AVACOPAN', 'avacopan', 'avacopan', 'AVACOPAN', 'AVACOPAN', 'AVACOPAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 1 |
|---|
