Therapeutic Targets Database
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TTD Drug ID: DCL000214

Drug Information
NameRelacatib
SynonymsGSK-462795; CHEMBL203665; Relacatib (USAN/INN); AC1OCFML; 362505-84-8; CID6918602; Relacatib; 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; D06634; SB-462795; Azepan-3-one compound 10
CompanyGlaxoSmithKline
IndicationBone Metastases
[ICD9: 198.5   ICD10: C79.51]
Suspend in Phase II in GSK 2005 Reprot    [1]
Osteoporosis
[ICD9: 733.0   ICD10: M80-M81]
Suspend in Phase I in GSK 2005 Reprot    [1]
Structure

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InChI1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-2
4)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
InChIKeyBWYBBMQLUKXECQ-GIVPXCGWSA-N
Canonical SMILESCC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=
C4O3    
Isomeric SMILESC[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC(C)C)NC(=O)
C3=CC4=CC=CC=C4O3
CAS NumberCAS 362505-84-8
PubChem Compound IDCID 6918602.
PubChem Substance IDSID 12015588.
ClinicalTrials.govNCT00411190;
TargetCathepsin KInhibitor[2][3][4]
Ref 1Current and future treatments of bone metastases. Expert Opin Emerg Drugs. 2008 Dec;13(4):609-27. To Reference
Ref 2Bioorg Med Chem Lett. 2008 Feb 1;18(3):923-8. Epub 2008 Jan 15.The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. To Reference
Ref 3A highly potent inhibitor of cathepsin K (relacatib) reduces biomarkers of bone resorption both in vitro and in an acute model of elevated bone turnover in vivo in monkeys. Bone. 2007 Jan;40(1):122-31. Epub 2006 Sep 7. To Reference
Ref 4Structure 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. To Reference



 

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