| BioID | bio2316 |
|---|
| Name | GALDANSETRON HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2106790 |
|---|
| Molecular Formula | C18H20ClN3O |
|---|
| Molecular Weight | 329.83 |
|---|
| Molecular Weight (Monoisotopic) | 293.1528 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GALDANSETRON HCL|GALDANSETRON HYDROCHLORIDE|GR 81225C|GR 81225X [AS THE BASE]|GR-81225C|GR-81225X |
|---|
| Smiles | Cc1[nH]cnc1C[C@H]1CCc2c(c3ccccc3n2C)C1=O.Cl |
|---|
| Inchi | InChI=1S/C18H19N3O.ClH/c1-11-14(20-10-19-11)9-12-7-8-16-17(18(12)22)13-5-3-4-6-15(13)21(16)2;/h3-6,10,12H,7-9H2,1-2H3,(H,19,20);1H/t12-;/m1./s1 |
|---|
| Inchi Key | OTQDHZWCXNUYMF-UTONKHPSSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
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| Np Likeness Score | -0.05 |
|---|
| Records Key | ['GALDANSETRON HYDROCHLORIDE'] |
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| Records Name | ['GALDANSETRON HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
