| BioID | bio2028 |
|---|
| Name | IRDABISANT HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL1813067 |
|---|
| Molecular Formula | C18H24ClN3O2 |
|---|
| Molecular Weight | 349.86 |
|---|
| Molecular Weight (Monoisotopic) | 313.179 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CEP-26401|CEP-26401 hydrochloride|IRDABISANT HYDROCHLORIDE |
|---|
| Smiles | C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1.Cl |
|---|
| Inchi | InChI=1S/C18H23N3O2.ClH/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17;/h5-10,14H,2-4,11-13H2,1H3,(H,20,22);1H/t14-;/m1./s1 |
|---|
| Inchi Key | WJUJICMNSMPLLG-PFEQFJNWSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 22.0 |
|---|
| Bioactivities | 48.0 |
|---|
| Np Likeness Score | -1.58 |
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| Records Key | ['IRDABISANT HYDROCHLORIDE', '8a.HCl'] |
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| Records Name | ['IRDABISANT HYDROCHLORIDE', '(R)-6-(4-(3-(2-methylpyrrolidin-1-yl)propoxy)phenyl)pyridazin-3(2H)-one hydrochloride'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
