| BioID | bio2605 |
|---|
| Name | INUPADENANT |
|---|
| ChEMBL ID | CHEMBL4650331 |
|---|
| Molecular Formula | C25H26F2N8O4S2 |
|---|
| Molecular Weight | 604.67 |
|---|
| Molecular Weight (Monoisotopic) | 604.1486 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EOS-100850|EOS100850|INUPADENANT |
|---|
| Smiles | C[S@+]([O-])CCOc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F |
|---|
| Inchi | InChI=1S/C25H26F2N8O4S2/c1-41(37)12-11-39-19-14-17(15(26)13-16(19)27)33-7-4-32(5-8-33)6-9-34-22-20(40-25(34)36)23-29-21(18-3-2-10-38-18)31-35(23)24(28)30-22/h2-3,10,13-14H,4-9,11-12H2,1H3,(H2,28,30)/t41-/m0/s1 |
|---|
| Inchi Key | QYCCLUSYHJXDEX-RWYGWLOXSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.57 |
|---|
| Records Key | ['INUPADENANT', 'INUPADENANT'] |
|---|
| Records Name | ['INUPADENANT', 'INUPADENANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
