| BioID | bio1970 |
|---|
| Name | INUPADENANT HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL4650228 |
|---|
| Molecular Formula | C25H27ClF2N8O4S2 |
|---|
| Molecular Weight | 641.13 |
|---|
| Molecular Weight (Monoisotopic) | 604.1486 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EOS105000|INUPADENANT HYDROCHLORIDE |
|---|
| Smiles | C[S@+]([O-])CCOc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F.Cl |
|---|
| Inchi | InChI=1S/C25H26F2N8O4S2.ClH/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);1H/t41-;/m0./s1 |
|---|
| Inchi Key | DDVRGKDOXQCEQN-YZNDQDBRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.57 |
|---|
| Records Key | ['INUPADENANT HYDROCHLORIDE'] |
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| Records Name | ['INUPADENANT HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
