Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05TKW
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| Former ID |
DIB018005
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| Drug Name |
alpha-ketothiazole analogue 36
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| Synonyms |
alpha-ketothiazole analogue 36; GTPL6549; CHEMBL273653; BDBM12976; (2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
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| Drug Type |
Small molecular drug
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| Indication | Alzheimer disease [ICD-11: 8A20; ICD-10: G30, G30.9; ICD-9: 331] | Clinical trial | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C29H43BrN10O5S
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| Canonical SMILES |
CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)C1=NC=CS1)NC(=O)C(CCCNC(=O)N)NC(=O)NC(C)C2=CC=C(C=C2)Br
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| InChI |
1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1
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| InChIKey |
BGBJLVHKOHYLME-MNAPGUCWSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Factor XI messenger RNA (F11 mRNA) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Complement and coagulation cascades | |||
| Pathwhiz Pathway | Coagulation | |||
| Reactome | Intrinsic Pathway of Fibrin Clot Formation | |||
| WikiPathways | Human Complement System | |||
| Blood Clotting Cascade | ||||
| Formation of Fibrin Clot (Clotting Cascade) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6549). | |||
| REF 2 | Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. | |||
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