| BioID | bio2774 |
|---|
| Name | ALTINICLINE |
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| ChEMBL ID | CHEMBL111659 |
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| Molecular Formula | C12H14N2 |
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| Molecular Weight | 186.26 |
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| Molecular Weight (Monoisotopic) | 186.1157 |
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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 | (-)-5-ETHYNYLNICOTINE|ALTINICLINA|ALTINICLINE|Altinicline|SIB-1508Y|SIB-1765F |
|---|
| Smiles | C#Cc1cncc([C@@H]2CCCN2C)c1 |
|---|
| Inchi | InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1 |
|---|
| Inchi Key | NUPUDYKEEJNZRG-LBPRGKRZSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 13.0 |
|---|
| Bioactivities | 31.0 |
|---|
| Np Likeness Score | -0.47 |
|---|
| Records Key | ['(S)-2', '23', '33, SIB-1508Y', 'ALTINICLINE', 'ALTINICLINE', 'COVC-3356631852', 'altinicline'] |
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| Records Name | ['3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-yl)-pyridine', '3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine', '(S)-3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine', 'ALTINICLINE', 'ALTINICLINE', 'ALTINICLINE', 'altinicline'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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