Drug Information

Drug General Information
Drug ID
D0T5PH
Former ID
DCL000214
Drug Name
Relacatib
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
Drug Type
Small molecular drug
Indication Bone metastases [ICD9: 198.5; ICD10:C79.51] Discontinued in Phase 2 [536957], [542792]
Osteoporosis [ICD9: 733.0, V07.4; ICD10:M80-M81, Z79.890] Discontinued in Phase 1 [536957], [542792]
Company
GlaxoSmithKline
Structure
Download
2D MOL

3D MOL
Formula
C27H32N4O6S
InChI
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
InChIKey
BWYBBMQLUKXECQ-GIVPXCGWSA-N
CAS Number
CAS 362505-84-8
PubChem Compound ID
6918602
PubChem Substance ID
12015588, 15108320, 17194989, 43529971, 46519782, 47208285, 52121711, 57371984, 103481289, 114788221, 134338878, 137212861, 139199583, 162844458, 198988740, 223366192, 223855632, 227782006, 247133718, 252216271, 252671596
Target and Pathway
Target(s) Cathepsin K Target Info Inhibitor [536193], [536274], [536609]
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
Ref 536957Current and future treatments of bone metastases. Expert Opin Emerg Drugs. 2008 Dec;13(4):609-27.
Ref 542792(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 536193Structure 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.
Ref 536274A 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.
Ref 536609The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. Bioorg Med Chem Lett. 2008 Feb 1;18(3):923-8. Epub 2008 Jan 15.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.