Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0T5PH
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| Former ID |
DCL000214
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| Drug Name |
Relacatib
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| Synonyms |
GSK-462795; SB-462795; Azepan-3-one compound 10; Relacatib (USAN/INN); N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Bone metastases [ICD-11: 2D50; ICD-10: C79.5; ICD-9: 198.5] | Discontinued in Phase 2 | [1], [2] | |
| Osteoporosis [ICD-11: FB83.0; ICD-10: M85.8] | Discontinued in Phase 1 | [1], [2] | ||
| Company |
GlaxoSmithKline
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| Structure |
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Download2D MOL |
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| Formula |
C27H32N4O6S
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| Canonical SMILES |
CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3
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| InChI |
1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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| InChIKey |
BWYBBMQLUKXECQ-GIVPXCGWSA-N
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| CAS Number |
CAS 362505-84-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin K (CTSK) | Target Info | Inhibitor | [3], [4], [5] |
| KEGG Pathway | Lysosome | |||
| Osteoclast differentiation | ||||
| Toll-like receptor signaling pathway | ||||
| Rheumatoid arthritis | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| RANKL Signaling Pathway | ||||
| IL2 Signaling Pathway | ||||
| Reactome | Collagen degradation | |||
| Degradation of the extracellular matrix | ||||
| Activation of Matrix Metalloproteinases | ||||
| Trafficking and processing of endosomal TLR | ||||
| MHC class II antigen presentation | ||||
| WikiPathways | RANKL/RANK Signaling Pathway | |||
| Osteoclast Signaling | ||||
| 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: 7862). | |||
| REF 2 | Current and future treatments of bone metastases. Expert Opin Emerg Drugs. 2008 Dec;13(4):609-27. | |||
| REF 3 | The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. Bioorg Med Chem Lett. 2008 Feb 1;18(3):923-8. | |||
| REF 4 | A highly potent inhibitor of cathepsin K (relacatib) reduces biomarkers of bone resorption both in vitro and in an acute model of elevated bone tur... Bone. 2007 Jan;40(1):122-31. | |||
| REF 5 | Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem. 2006 Mar 9;49(5):1597-612. | |||
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