| BioID | bio1946 |
|---|
| Name | IBIPINABANT |
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| ChEMBL ID | CHEMBL412262 |
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| Molecular Formula | C23H20Cl2N4O2S |
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| Molecular Weight | 487.41 |
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| Molecular Weight (Monoisotopic) | 486.0684 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | BMS-646256|IBIPINABANT|Ibipinabant|SLV-319|SLV319 |
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| Smiles | CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 |
|---|
| Inchi | InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1 |
|---|
| Inchi Key | AXJQVVLKUYCICH-OAQYLSRUSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 12.0 |
|---|
| Bioactivities | 43.0 |
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| Np Likeness Score | -0.88 |
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| Records Key | ['IBIPINABANT', '80', 'SLV-319', '2, SLV-319', '2, SLV-3199', '6, SLV-319', 'SLV-319', 'SLV-319', 'SLV-319', 'SLV-319', '2, (+/-)-SLV-319', 'IBIPINABANT', '2, SLV-319', '3', 'SLV-319'] |
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| Records Name | ['IBIPINABANT', '4-Chloro-N-[1-[(S)-3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide', (S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine", "4S-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)-sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-caboxamidine", "(S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine", "(S)-3-(4-chlorophenyl)-N-(4-chlorophenylsulfonyl)-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine", 'ibipinabant', 'Ibipinabant', '4-Chloro-N-[1-[(S)-3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(Z)-ylidene]-benzenesulfonamide', "(S,Z)-3-(4-chlorophenyl)-N-(4-chlorophenylsulfonyl)-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine", "3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide", 'IBIPINABANT', 'ibipinabant', "(S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide", 'Ibipinabant']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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