| BioID | bio3074 |
|---|
| Name | VELSECORAT |
|---|
| ChEMBL ID | CHEMBL3666807 |
|---|
| Molecular Formula | C32H32F2N4O6 |
|---|
| Molecular Weight | 606.63 |
|---|
| Molecular Weight (Monoisotopic) | 606.229 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AZD 7594|AZD-7594|AZD7594|VELSECORAT |
|---|
| Smiles | C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 |
|---|
| Inchi | InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1 |
|---|
| Inchi Key | ZZWJKLGCDHYVMB-BWGXUDETSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 40.0 |
|---|
| Np Likeness Score | -0.87 |
|---|
| Records Key | ['BDBM141372', 'AZD7594', '15m; AZD7594', 'VELSECORAT', 'AZD7594', 'VELSECORAT', 'EOS101715'] |
|---|
| Records Name | ['US8916600, 6', 'AZD7594', '3-(5-((1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((R)-tetrahydrofuran-3-yl)benzamide', 'VELSECORAT', 'AZD7594', 'VELSECORAT', 'AZD7594'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
