relacatib profile

relacatib: a cathepsin K inhibitor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	6918602
CHEMBL ID	203665
SCHEMBL ID	1587331
MeSH ID	M0497328

Synonym
sb-462795
gsk-462795
relacatib
D06634
relacatib (usan/inn)
362505-84-8
azepan-3-one compound 10
(2s)-2-(1-benzofuran-2-ylformamido)-4-methyl-n-[(4s,7r)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide
bdbm19778
chembl203665 ,
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
n-((1s)-3-methyl-1-((((4s,7r)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)hexahydro-1h-azepin-4-yl)amino)carbonyl)-butyl)-1-benzofuran-2-carboxamide
n-((1s)-3-methyl-1-(((4s,7r)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)hexahydro-1h-azepin-4-yl)carbamoyl)butyl)benzofuran-2-carboxamide,
bl51m8cb8r ,
unii-bl51m8cb8r
2-benzofurancarboxamide, n-((1s)-1-((((4s,7r)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1h-azepin-4-yl)amino)carbonyl)-3-methylbutyl)-
relacatib [usan:inn]
relacatib [inn]
relacatib [usan]
n-[(1s)-3-methyl-1-{[(4s,7r)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)hexahydro-1h-azepin-4-yl]carbamoyl}butyl]benzofuran-2-carboxamide
gtpl7862
sb462795
BWYBBMQLUKXECQ-GIVPXCGWSA-N
benzofuran-2-carboxylic acid {(s)-3-methyl-1-[(4s,7r)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-butyl}-amide
SCHEMBL1587331
AKOS025149082
n-((s)-4-methyl-1-(((4s,7r)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl)amino)-1-oxopentan-2-yl)benzofuran-2-carboxamide.
DB06367
Q27088529
HY-10294
CS-0002536
MS-29964
n-(1-hydroxy-4-methyl-1-{[7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]imino}pentan-2-yl)-1-benzofuran-2-carboximidic acid
DTXSID30957639

Excerpt	Reference	Relevance
"16 nM, rat oral bioavailability = 42%, rat in vivo clearance = 49."	( Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. Cheng, HY; Erhard, KF; Gao, E; Geng, X; Gress, CJ; Haltiwanger, RC; Head, MS; James, IE; Janson, CA; Jeong, JU; Lark, MW; Liable-Sands, LM; Lin, F; Marquis, RW; McQueney, M; Narducci Sarjeant, AA; Nevins, N; Nidamarthy, SD; Offen, PH; Oh, HJ; Roethke, TJ; Smith, BR; Smith, WW; Tomaszek, T; Veber, DF; Wang, B; Ward, KW; Xie, R; Yamashita, DS; Zembryki, DL; Zhao, B, 2006)	0.33
" Here we report the pharmacological characterization of SB-462795 (relacatib) as a potent and orally bioavailable small molecule inhibitor of cathepsin K that inhibits bone resorption both in vitro in human tissue and in vivo in cynomolgus monkeys."	( A 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. Blake, SM; Dare, L; Gowen, M; Hwang, SM; James, IE; Jeong, JU; Kumar, S; Lark, MW; Marquis, RW; Oh, H; Rickard, DJ; Stroup, G; Tomaszek, T; Vasko-Moser, JA; Veber, DF; Yamashita, DS, 2007)	0.84

Excerpt	Relevance	Reference
" We evaluated the effect of daily oral dosing of an inhibitor of human cathepsin K (SB-462795 [relacatib]) for 9 months on bone turnover, mass, and architecture in estrogen-deficient cynomolgus monkeys."	( Treatment with a potent cathepsin K inhibitor preserves cortical and trabecular bone mass in ovariectomized monkeys. Jerome, CP; Kumar, S; Stroup, GB, 2009)	0.57

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cathepsin K	Rattus norvegicus (Norway rat)	Ki	0.0044	0.0000	0.0044	0.0130	AID1797898; AID261378
Cathepsin L2	Homo sapiens (human)	Ki	0.0033	0.0000	0.1279	1.0000	AID1797898; AID261375
Procathepsin L	Homo sapiens (human)	IC50 (µMol)	0.0020	0.0002	1.6661	9.5100	AID314232
Procathepsin L	Homo sapiens (human)	Ki	0.0033	0.0000	1.1013	9.3000	AID1797898; AID261374
Cathepsin B	Homo sapiens (human)	IC50 (µMol)	0.0140	0.0002	1.8453	10.0000	AID314231
Cathepsin B	Homo sapiens (human)	Ki	0.0051	0.0000	1.2180	8.6000	AID1797898; AID261377
Cathepsin S	Homo sapiens (human)	IC50 (µMol)	0.0080	0.0002	1.3191	10.0000	AID314233
Cathepsin S	Homo sapiens (human)	Ki	0.0035	0.0000	0.4143	3.2900	AID1797898; AID261376
Cathepsin K	Homo sapiens (human)	IC50 (µMol)	0.0005	0.0001	0.8482	10.0000	AID314219
Cathepsin K	Homo sapiens (human)	Ki	0.0029	0.0000	0.1537	2.1000	AID1797898; AID261373; AID482895
Cathepsin K	Oryctolagus cuniculus (rabbit)	IC50 (µMol)	0.0005	0.0002	1.1018	6.3500	AID314229
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
apoptotic process	Cathepsin L2	Homo sapiens (human)
antigen processing and presentation of exogenous peptide antigen via MHC class II	Cathepsin L2	Homo sapiens (human)
extracellular matrix disassembly	Cathepsin L2	Homo sapiens (human)
immune response	Cathepsin L2	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Cathepsin L2	Homo sapiens (human)
positive regulation of peptidase activity	Cathepsin L2	Homo sapiens (human)
proteolysis involved in protein catabolic process	Cathepsin L2	Homo sapiens (human)
adaptive immune response	Procathepsin L	Homo sapiens (human)
proteolysis	Procathepsin L	Homo sapiens (human)
protein autoprocessing	Procathepsin L	Homo sapiens (human)
fusion of virus membrane with host plasma membrane	Procathepsin L	Homo sapiens (human)
receptor-mediated endocytosis of virus by host cell	Procathepsin L	Homo sapiens (human)
antigen processing and presentation	Procathepsin L	Homo sapiens (human)
antigen processing and presentation of exogenous peptide antigen via MHC class II	Procathepsin L	Homo sapiens (human)
collagen catabolic process	Procathepsin L	Homo sapiens (human)
zymogen activation	Procathepsin L	Homo sapiens (human)
enkephalin processing	Procathepsin L	Homo sapiens (human)
fusion of virus membrane with host endosome membrane	Procathepsin L	Homo sapiens (human)
CD4-positive, alpha-beta T cell lineage commitment	Procathepsin L	Homo sapiens (human)
symbiont entry into host cell	Procathepsin L	Homo sapiens (human)
antigen processing and presentation of peptide antigen	Procathepsin L	Homo sapiens (human)
proteolysis involved in protein catabolic process	Procathepsin L	Homo sapiens (human)
elastin catabolic process	Procathepsin L	Homo sapiens (human)
macrophage apoptotic process	Procathepsin L	Homo sapiens (human)
cellular response to thyroid hormone stimulus	Procathepsin L	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Procathepsin L	Homo sapiens (human)
positive regulation of peptidase activity	Procathepsin L	Homo sapiens (human)
immune response	Procathepsin L	Homo sapiens (human)
proteolysis	Cathepsin B	Homo sapiens (human)
thyroid hormone generation	Cathepsin B	Homo sapiens (human)
collagen catabolic process	Cathepsin B	Homo sapiens (human)
epithelial cell differentiation	Cathepsin B	Homo sapiens (human)
regulation of apoptotic process	Cathepsin B	Homo sapiens (human)
decidualization	Cathepsin B	Homo sapiens (human)
symbiont entry into host cell	Cathepsin B	Homo sapiens (human)
proteolysis involved in protein catabolic process	Cathepsin B	Homo sapiens (human)
cellular response to thyroid hormone stimulus	Cathepsin B	Homo sapiens (human)
toll-like receptor signaling pathway	Cathepsin S	Homo sapiens (human)
adaptive immune response	Cathepsin S	Homo sapiens (human)
proteolysis	Cathepsin S	Homo sapiens (human)
apoptotic process	Cathepsin S	Homo sapiens (human)
response to acidic pH	Cathepsin S	Homo sapiens (human)
protein processing	Cathepsin S	Homo sapiens (human)
antigen processing and presentation	Cathepsin S	Homo sapiens (human)
antigen processing and presentation of exogenous peptide antigen via MHC class II	Cathepsin S	Homo sapiens (human)
extracellular matrix disassembly	Cathepsin S	Homo sapiens (human)
collagen catabolic process	Cathepsin S	Homo sapiens (human)
basement membrane disassembly	Cathepsin S	Homo sapiens (human)
antigen processing and presentation of peptide antigen	Cathepsin S	Homo sapiens (human)
proteolysis involved in protein catabolic process	Cathepsin S	Homo sapiens (human)
cellular response to thyroid hormone stimulus	Cathepsin S	Homo sapiens (human)
positive regulation of cation channel activity	Cathepsin S	Homo sapiens (human)
positive regulation of peptidase activity	Cathepsin S	Homo sapiens (human)
immune response	Cathepsin S	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Cathepsin S	Homo sapiens (human)
collagen catabolic process	Cathepsin K	Homo sapiens (human)
mitophagy	Cathepsin K	Homo sapiens (human)
intramembranous ossification	Cathepsin K	Homo sapiens (human)
proteolysis	Cathepsin K	Homo sapiens (human)
thyroid hormone generation	Cathepsin K	Homo sapiens (human)
apoptotic process	Cathepsin K	Homo sapiens (human)
response to organic cyclic compound	Cathepsin K	Homo sapiens (human)
extracellular matrix disassembly	Cathepsin K	Homo sapiens (human)
collagen catabolic process	Cathepsin K	Homo sapiens (human)
response to insulin	Cathepsin K	Homo sapiens (human)
cellular response to zinc ion starvation	Cathepsin K	Homo sapiens (human)
bone resorption	Cathepsin K	Homo sapiens (human)
response to ethanol	Cathepsin K	Homo sapiens (human)
proteolysis involved in protein catabolic process	Cathepsin K	Homo sapiens (human)
negative regulation of cartilage development	Cathepsin K	Homo sapiens (human)
cellular response to tumor necrosis factor	Cathepsin K	Homo sapiens (human)
cellular response to transforming growth factor beta stimulus	Cathepsin K	Homo sapiens (human)
mononuclear cell differentiation	Cathepsin K	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Cathepsin K	Homo sapiens (human)
positive regulation of peptidase activity	Cathepsin K	Homo sapiens (human)
immune response	Cathepsin K	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cysteine-type endopeptidase activity	Cathepsin L2	Homo sapiens (human)
serine-type endopeptidase activity	Cathepsin L2	Homo sapiens (human)
protein binding	Cathepsin L2	Homo sapiens (human)
cysteine-type peptidase activity	Cathepsin L2	Homo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic process	Cathepsin L2	Homo sapiens (human)
fibronectin binding	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activity	Procathepsin L	Homo sapiens (human)
protein binding	Procathepsin L	Homo sapiens (human)
collagen binding	Procathepsin L	Homo sapiens (human)
cysteine-type peptidase activity	Procathepsin L	Homo sapiens (human)
histone binding	Procathepsin L	Homo sapiens (human)
proteoglycan binding	Procathepsin L	Homo sapiens (human)
serpin family protein binding	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic process	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activity	Cathepsin B	Homo sapiens (human)
protein binding	Cathepsin B	Homo sapiens (human)
collagen binding	Cathepsin B	Homo sapiens (human)
peptidase activity	Cathepsin B	Homo sapiens (human)
cysteine-type peptidase activity	Cathepsin B	Homo sapiens (human)
proteoglycan binding	Cathepsin B	Homo sapiens (human)
fibronectin binding	Cathepsin S	Homo sapiens (human)
cysteine-type endopeptidase activity	Cathepsin S	Homo sapiens (human)
serine-type endopeptidase activity	Cathepsin S	Homo sapiens (human)
collagen binding	Cathepsin S	Homo sapiens (human)
laminin binding	Cathepsin S	Homo sapiens (human)
proteoglycan binding	Cathepsin S	Homo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic process	Cathepsin S	Homo sapiens (human)
fibronectin binding	Cathepsin K	Homo sapiens (human)
cysteine-type endopeptidase activity	Cathepsin K	Homo sapiens (human)
serine-type endopeptidase activity	Cathepsin K	Homo sapiens (human)
protein binding	Cathepsin K	Homo sapiens (human)
collagen binding	Cathepsin K	Homo sapiens (human)
cysteine-type peptidase activity	Cathepsin K	Homo sapiens (human)
proteoglycan binding	Cathepsin K	Homo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic process	Cathepsin K	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular region	Cathepsin L2	Homo sapiens (human)
lysosomal lumen	Cathepsin L2	Homo sapiens (human)
extracellular space	Cathepsin L2	Homo sapiens (human)
lysosome	Cathepsin L2	Homo sapiens (human)
extracellular region	Procathepsin L	Homo sapiens (human)
extracellular space	Procathepsin L	Homo sapiens (human)
nucleus	Procathepsin L	Homo sapiens (human)
lysosome	Procathepsin L	Homo sapiens (human)
multivesicular body	Procathepsin L	Homo sapiens (human)
Golgi apparatus	Procathepsin L	Homo sapiens (human)
plasma membrane	Procathepsin L	Homo sapiens (human)
apical plasma membrane	Procathepsin L	Homo sapiens (human)
endolysosome lumen	Procathepsin L	Homo sapiens (human)
chromaffin granule	Procathepsin L	Homo sapiens (human)
lysosomal lumen	Procathepsin L	Homo sapiens (human)
intracellular membrane-bounded organelle	Procathepsin L	Homo sapiens (human)
collagen-containing extracellular matrix	Procathepsin L	Homo sapiens (human)
extracellular exosome	Procathepsin L	Homo sapiens (human)
endocytic vesicle lumen	Procathepsin L	Homo sapiens (human)
extracellular space	Procathepsin L	Homo sapiens (human)
lysosome	Procathepsin L	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin B	Homo sapiens (human)
extracellular region	Cathepsin B	Homo sapiens (human)
extracellular space	Cathepsin B	Homo sapiens (human)
lysosome	Cathepsin B	Homo sapiens (human)
external side of plasma membrane	Cathepsin B	Homo sapiens (human)
apical plasma membrane	Cathepsin B	Homo sapiens (human)
endolysosome lumen	Cathepsin B	Homo sapiens (human)
melanosome	Cathepsin B	Homo sapiens (human)
perinuclear region of cytoplasm	Cathepsin B	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin B	Homo sapiens (human)
extracellular exosome	Cathepsin B	Homo sapiens (human)
peptidase inhibitor complex	Cathepsin B	Homo sapiens (human)
ficolin-1-rich granule lumen	Cathepsin B	Homo sapiens (human)
extracellular space	Cathepsin B	Homo sapiens (human)
lysosome	Cathepsin B	Homo sapiens (human)
extracellular region	Cathepsin S	Homo sapiens (human)
extracellular space	Cathepsin S	Homo sapiens (human)
lysosome	Cathepsin S	Homo sapiens (human)
late endosome	Cathepsin S	Homo sapiens (human)
endolysosome lumen	Cathepsin S	Homo sapiens (human)
lysosomal lumen	Cathepsin S	Homo sapiens (human)
intracellular membrane-bounded organelle	Cathepsin S	Homo sapiens (human)
phagocytic vesicle	Cathepsin S	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin S	Homo sapiens (human)
tertiary granule lumen	Cathepsin S	Homo sapiens (human)
ficolin-1-rich granule lumen	Cathepsin S	Homo sapiens (human)
extracellular space	Cathepsin S	Homo sapiens (human)
lysosome	Cathepsin S	Homo sapiens (human)
extracellular region	Cathepsin K	Homo sapiens (human)
extracellular space	Cathepsin K	Homo sapiens (human)
nucleoplasm	Cathepsin K	Homo sapiens (human)
lysosome	Cathepsin K	Homo sapiens (human)
external side of plasma membrane	Cathepsin K	Homo sapiens (human)
apical plasma membrane	Cathepsin K	Homo sapiens (human)
endolysosome lumen	Cathepsin K	Homo sapiens (human)
lysosomal lumen	Cathepsin K	Homo sapiens (human)
intracellular membrane-bounded organelle	Cathepsin K	Homo sapiens (human)
extracellular space	Cathepsin K	Homo sapiens (human)
lysosome	Cathepsin K	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (43)

Assay ID	Title	Year	Journal	Article
AID314232	Inhibition of cathepsin L in human HepG2 cells	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID261375	Inhibition of human cathepsin V	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID314229	Inhibition of rabbit cathepsin K	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID482430	Clearance in Sprague-Dawley rat at 1 to 2 mg/kg, iv by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261389	Permeability in MDCK cells at 10 uM	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482439	Antiosteoporotic activity in cynomolgus monkey assessed as increase in lumbar vertebrae bone strength at 30 mg/kg administered daily for 1 year	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482899	Selectivity for cathepsin K over cathepsin L	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261381	Clearance in iv dosed Sprague-Dawley rat	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID314219	Inhibition of humanized rabbit cathepsin K	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID482429	Oral bioavailability in cynomolgus monkey at 2 to 4 mg/kg by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482436	Antiosteoporotic activity in cynomolgus monkey assessed as decrease in bone resorption-associated urinary CTX-1 level at 10 mg/kg, po administered as single dose	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482895	Inhibition of cathepsin K	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261387	Oral bioavailability in cynomolgus monkey	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261388	Protein binding in plasma	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261383	Oral bioavailability in Sprague-Dawley rat	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261377	Inhibition of human cathepsin B	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261382	Volume of distribution in iv dosed Sprague-Dawley rat	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261378	Inhibition of rat cathepsin K	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482437	Antiosteoporotic activity in cynomolgus monkey assessed as decrease in bone resorption-associated serum CTX-1 level at 10 mg/kg, po administered 5X a day	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482433	Clearance in cynomolgus monkey at 1 to 2 mg/kg, iv by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482421	Selectivity for cathepsin K over cathepsin V	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482440	Antiosteoporotic activity in cynomolgus monkey assessed as increase in lumbar vertebrae bone strength at 1000 mg/kg administered daily for 1 year	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261376	Inhibition of human cathepsin S	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482900	Selectivity for cathepsin K over cathepsin S	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID314233	Inhibition of cathepsin S in human ramos cells	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID261379	Effect on collagen accumulation in osteoclast bone resorption assay	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482431	Volume of distribution at steady state in Sprague-Dawley rat at 1 to 2 mg/kg, iv by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID482435	Antiosteoporotic activity in cynomolgus monkey assessed as decrease in bone resorption-associated serum CTX-1 level at 10 mg/kg, po administered as single dose	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261373	Inhibition of human cathepsin K	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482432	Oral bioavailability in Sprague-Dawley rat at 2 to 4 mg/kg by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261390	Permeability in artificial membrane	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261386	Volume of distribution in iv dosed cynomolgus monkey	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482434	Volume of distribution at steady state in cynomolgus monkey at 1 to 2 mg/kg, iv by LC/MS/MS analysis	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID261385	Clearance in iv dosed cynomolgus monkey	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261384	Half life in iv dosed cynomolgus monkey	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID261380	Half life in iv dosed Sprague-Dawley rat	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID314230	Inhibition of bone resorption in rabbit osteoclast	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID261374	Inhibition of human cathepsin L	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID482898	Selectivity for cathepsin K over cathepsin B	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID314231	Inhibition of cathepsin B in human HepG2 cells	2008	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3	The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.
AID482438	Antiosteoporotic activity in cynomolgus monkey assessed as decrease in bone resorption-associated urinary CTX-1 level at 10 mg/kg, po administered 5X a day	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
AID1797898	Enzyme Inhibition Assay from Article 10.1021/jm050915u: \\Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.\\	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
AID1345903	Human cathepsin K (C1: Papain)	2010	Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11	Emerging targets in osteoporosis disease modification.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	7 (87.50)	29.6817
2010's	1 (12.50)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	4 (50.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	4 (50.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
alendronate alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.	2.05	1	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
am 251 AM 251: an analog of SR141716A; structure given in first source. AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor.	3.15	1	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
thiazoles [no description available]	3.14	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	3.15	1	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	3.14	1	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
cp-55,940 [no description available]	3.15	1
cilengitide Cilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cells	3.15	1	oligopeptide
naringin [no description available]	3.15	1	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
cannabidiol Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.	3.15	1	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
am 630 iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first source	3.15	1	N-acylindole
osteoprotegerin Osteoprotegerin: A secreted member of the TNF receptor superfamily that negatively regulates osteoclastogenesis. It is a soluble decoy receptor of RANK LIGAND that inhibits both CELL DIFFERENTIATION and function of OSTEOCLASTS by inhibiting the interaction between RANK LIGAND and RECEPTOR ACTIVATOR OF NUCLEAR FACTOR-KAPPA B.	3.14	1	long-chain fatty acid
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	3.15	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
sciadopitysin sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba. sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone.	3.15	1	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	bone density conservation agent; platelet aggregation inhibitor
nps2143 [no description available]	3.15	1
jwh-133 1,1-dimethylbutyl-1-deoxy-Delta(9)-THC: a CB2 receptor agonists; no further information available on 8/2001. JWH-133 : A dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist.	3.15	1	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
ono4819 ONO4819: prostanoid receptor EP4 agonist	3.15	1	benzyl ether
mk-0429 [no description available]	3.15	1
l-873724 L-873724: a selective inhibitor of cathepsin K; structure in first source	2.04	1
odanacatib odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source	4.91	4
balicatib balicatib: cathepsin K inhibitor	4.35	3
saracatinib [no description available]	3.15	1	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide [no description available]	3.15	1	sulfonamide
pf-562,271 [no description available]	3.15	1	indoles
teriparatide [no description available]	3.15	1	polypeptide
WAY-316606 WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1).	3.15	1	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
vel-0230 VEL-0230: a cathepsin K antagonist	3.15	1

Condition	Relationship Strength	Studies
Bone Loss, Perimenopausal [description not available]	2.04	1
Osteoporosis, Postmenopausal Metabolic disorder associated with fractures of the femoral neck, vertebrae, and distal forearm. It occurs commonly in women within 15-20 years after menopause, and is caused by factors associated with menopause including estrogen deficiency.	2.04	1
Bone Loss, Osteoclastic [description not available]	4.35	4
Age-Related Osteoporosis [description not available]	3.84	2
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	3.84	2
Bone Cancer [description not available]	3.83	2
Breast Cancer [description not available]	2.96	1
Cancer of Prostate [description not available]	3.83	2
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	3.83	2
Breast Neoplasms Tumors or cancer of the human BREAST.	2.96	1
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	3.83	2
Rheumatoid Arthritis [description not available]	2.96	1
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	2.96	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.03	1
Osteolysis Dissolution of bone that particularly involves the removal or loss of calcium.	2.96	1

relacatib

Description

Cross-References

Synonyms (34)

Research Excerpts

Bioavailability

Dosage Studied

Protein Targets (7)

Inhibition Measurements

Biological Processes (43)

Molecular Functions (12)

Ceullar Components (24)

Bioassays (43)

Research

Studies (8)

Market Indicators

Research Demand Index: 12.16

Study Types

relacatib

Description

Cross-References

Synonyms (34)

Research Excerpts

Bioavailability

Dosage Studied

Protein Targets (7)

Inhibition Measurements

Biological Processes (43)

Molecular Functions (12)

Ceullar Components (24)

Bioassays (43)

Research

Studies (8)

Market Indicators

Research Demand Index: 12.16

Study Types

Related Drugs (26)

Related Conditions (15)