| BioID | bio29761 |
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| Name | DABIGATRAN |
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| ChEMBL ID | CHEMBL48361 |
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| Molecular Formula | C25H25N7O3 |
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| Molecular Weight | 471.52 |
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| Molecular Weight (Monoisotopic) | 471.2019 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar9 |
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| Target Name | Neurotensin receptor type 1 (NTSR1) |
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| Synonyms | BIBR 953 ZW|BIBR-953|BIBR-953-ZW|DABIGATRAN|PRADAXA|PRADAXA (DABIGATRAN) |
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| Smiles | Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 |
|---|
| Inchi | InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) |
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| Inchi Key | YBSJFWOBGCMAKL-UHFFFAOYSA-N |
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| Molecular Species | ZWITTERION |
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| Targets | 88.0 |
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| Bioactivities | 164.0 |
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| Np Likeness Score | -1.54 |
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| Records Key | ['Dabigatran', '24, Dabigatran', 'DABIGATRAN', 'Dabigatran', '1765', 'SID174006835', '1', 'Dabigatran', 'Dabigatran', '1b', '4b', '160', 'DABIGATRAN', 'Dabigatran', '1', 'Dabigatran', 'Dabigatran', '0', 'Dabigatran', 'Pradaxa, BIBR 953', 'BIBR 953 (DABIGATRAN ETEXILATE, PRADAXA)', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'Dabigatran', 'Dabigatran', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'dabigatran', 'Dabigatran', 'DABIGATRAN', 'Dabigatran'] |
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| Records Name | ['Dabigatran', '3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid', 'DABIGATRAN', 'Dabigatran', None, 'SID174006835', 'dabigatran', 'Dabigatran', 'Dabigatran', 'Dabigatran', 'Dabigatran', '3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid', 'DABIGATRAN', 'Dabigatran', 'Dabigatran', 'Dabigatran', 'Dabigatran', '3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid', 'Dabigatran', 'Dabigatran', 'BIBR 953 (DABIGATRAN ETEXILATE, PRADAXA)', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'Dabigatran', 'Dabigatran', 'BIBR 953 (Dabigatran etexilate; Pradaxa)', 'dabigatran', 'Dabigatran', 'DABIGATRAN', 'Dabigatran'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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