| BioID | bio2986 |
|---|
| Name | VEMIRCOPAN |
|---|
| ChEMBL ID | CHEMBL4650325 |
|---|
| Molecular Formula | C29H28BrN7O3 |
|---|
| Molecular Weight | 602.49 |
|---|
| Molecular Weight (Monoisotopic) | 601.1437 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACH-0145228|ACH-5228|ALXN-2050|ALXN2050|VEMIRCOPAN |
|---|
| Smiles | CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12 |
|---|
| Inchi | InChI=1S/C29H28BrN7O3/c1-15-5-8-24(30)33-27(15)34-28(40)22-10-29(4)11-23(29)37(22)25(39)14-36-21-7-6-18(19-12-31-17(3)32-13-19)9-20(21)26(35-36)16(2)38/h5-9,12-13,22-23H,10-11,14H2,1-4H3,(H,33,34,40)/t22-,23+,29-/m0/s1 |
|---|
| Inchi Key | OCXAGXCMZACNEC-CTWZREHQSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.95 |
|---|
| Records Key | ['VEMIRCOPAN', 'VEMIRCOPAN'] |
|---|
| Records Name | ['VEMIRCOPAN', 'VEMIRCOPAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
