| BioID | bio2057 |
|---|
| Name | ADATANSERIN HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2107510 |
|---|
| Molecular Formula | C21H32ClN5O |
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| Molecular Weight | 405.97 |
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| Molecular Weight (Monoisotopic) | 369.2529 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | ADATANSERIN HCL|ADATANSERIN HYDROCHLORIDE|WY 50324 HCL|WY-50324 HCL|WY-50324-HCL |
|---|
| Smiles | Cl.O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 |
|---|
| Inchi | InChI=1S/C21H31N5O.ClH/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20;/h1-3,16-18H,4-15H2,(H,22,27);1H |
|---|
| Inchi Key | PPHCXMVJHQJEAK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
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| Np Likeness Score | -1.63 |
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| Records Key | ['ADATANSERIN HYDROCHLORIDE', '2'] |
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| Records Name | ['ADATANSERIN HYDROCHLORIDE', 'Adatanserin hydrochloride'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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