| BioID | bio2871 |
|---|
| Name | APLAVIROC |
|---|
| ChEMBL ID | CHEMBL1255794 |
|---|
| Molecular Formula | C33H43N3O6 |
|---|
| Molecular Weight | 577.72 |
|---|
| Molecular Weight (Monoisotopic) | 577.3152 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AK-602|APLAVIROC|Aplaviroc|GSK-873140|GW-873140|GW873140 |
|---|
| Smiles | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 |
|---|
| Inchi | InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 |
|---|
| Inchi Key | GWNOTCOIYUNTQP-FQLXRVMXSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 23.0 |
|---|
| Np Likeness Score | -0.18 |
|---|
| Records Key | ['Aplaviroc, GW-873140', 'aplaviroc', '23, GW2239633', 'Aplaviroc', 'aplaviroc', '42', 'Aplaviroc', '21'] |
|---|
| Records Name | ['Aplaviroc', 'aplaviroc', 'Aplaviroc', 'Aplaviroc', 'aplaviroc', 'Aplaviroc', 'Aplaviroc', 'Aplaviroc'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
