| BioID | bio2615 |
|---|
| Name | VARENICLINE |
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| ChEMBL ID | CHEMBL1076903 |
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| Molecular Formula | C13H13N3 |
|---|
| Molecular Weight | 211.27 |
|---|
| Molecular Weight (Monoisotopic) | 211.1109 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | CP-526,555|CP-526555|VARENICLINA|VARENICLINE |
|---|
| Smiles | c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1 |
|---|
| Inchi | InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+ |
|---|
| Inchi Key | JQSHBVHOMNKWFT-DTORHVGOSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 91.0 |
|---|
| Bioactivities | 303.0 |
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| Np Likeness Score | 0.25 |
|---|
| Records Key | ['Varenicline', '14', 'Varenicline', '8', '1', '3', '3', 'Varenicline', 'varenicline', '3', '9a table 2', 'varenicline', 'SID174007164', 'VARENICLINE', 'varenicline', '3', '3', 'VARENICLINE', 'varenicline', 'COVC-3894908545', '2', '1', 'varenicline', 'Varenicline', 'varenicline', 'VARENICLINE', 'BDBM221048', 'VARENICLINE', 'Varenicline', 'Varenicline', 'BDBM221048', 'varenicline', 'EUB0002001aTar'] |
|---|
| Records Name | ['Varenicline', 'varenicline', 'Varenicline', 'varenicline', 'Varenicline', 'Varenicline', 'varenicline', 'Varenicline', 'varenicline', '(+/-)-varenicline', '5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene', 'varenicline', 'SID174007164', 'VARENICLINE', 'varenicline', 'Varenicline', 'Varenicline', 'VARENICLINE', 'varenicline', 'VARENICLINE', 'Varenicline', 'Varenicline', 'Varenicline', 'Varenicline', 'varenicline', 'VARENICLINE', 'US9284322, varenicline::US9303017, Varenicline', 'VARENICLINE', 'Varenicline', 'Varenicline', 'US9284322, varenicline::US9303017, Varenicline', 'varenicline', 'Varenicline'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
