| BioID | bio3525 |
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| Name | EFEGATRAN |
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| ChEMBL ID | CHEMBL273196 |
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| Molecular Formula | C21H32N6O3 |
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| Molecular Weight | 416.53 |
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| Molecular Weight (Monoisotopic) | 416.2536 |
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| Type | Protein |
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| Max Phase | Unknown |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | EFEGATRAN|LY-294468|LY294468 |
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| Smiles | CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
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| Inchi | InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1 |
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| Inchi Key | KAGLWQUWUNBAOO-KSZLIROESA-N |
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| Molecular Species | BASE |
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| Targets | 23.0 |
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| Bioactivities | 100.0 |
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| Np Likeness Score | 0.58 |
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| Records Key | ['GYKI-14766', 'Efegatran', '2', 'Efegatran', 'efegatran', '15', '5', 'Efegatran', 'Efegatran', '1b (Efegatran)', 'efegatran', 'GYKI-14766', '11', '1b', 'COVC-1214828474'] |
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| Records Name | ['(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]-1-[2-methylamino-3-phenyl-(2R)-propanoyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', 'Me-(D-Phe)-Pro-Arg-CHO', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide', '1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide', '(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide', 'EFEGATRAN'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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