Page last updated: 2024-12-08

cgp 38560a

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

Cross-References

ID SourceID
PubMed CID448382
CHEMBL ID293196
SCHEMBL ID12921157
MeSH IDM0167189

Synonyms (8)

Synonym
1RNE
[[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide
(2s,4s,5s)-5-[(2s)-2-[(2s)-2-benzyl-3-[(2-methylpropane-2-)sulfonyl]propanamido]-3-(1h-imidazol-4-yl)propanamido]-n-butyl-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamide
bdbm17941
cgp-38560a
CHEMBL293196
SCHEMBL12921157
Q27458666

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"Our design approach led to compounds with high in vitro affinity and specificity for renin, favourable bioavailability and excellent oral efficacy in lowering blood pressure in primates."( Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin.
Cohen, NC; Cumin, F; Fuhrer, W; Göschke, R; Grütter, MG; Maibaum, J; Rahuel, J; Rasetti, V; Rüeger, H; Stutz, S; Wood, JM, 2000
)
0.31
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, RENINHomo sapiens (human)IC50 (µMol)0.00200.00200.00200.0020AID977608
Pepsin ASus scrofa (pig)IC50 (µMol)20.45000.00702.15078.2000AID156903; AID1797677
ReninHomo sapiens (human)IC50 (µMol)0.00130.00000.77968.2000AID1797676; AID195442; AID198664
ReninHomo sapiens (human)Ki0.00070.00001.80787.4000AID39381
Cathepsin D Bos taurus (cattle)IC50 (µMol)1.34000.00700.91656.3000AID47825; AID47841
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Processvia Protein(s)Taxonomy
kidney developmentReninHomo sapiens (human)
mesonephros developmentReninHomo sapiens (human)
angiotensin maturationReninHomo sapiens (human)
renin-angiotensin regulation of aldosterone productionReninHomo sapiens (human)
proteolysisReninHomo sapiens (human)
regulation of blood pressureReninHomo sapiens (human)
male gonad developmentReninHomo sapiens (human)
hormone-mediated signaling pathwayReninHomo sapiens (human)
response to lipopolysaccharideReninHomo sapiens (human)
response to immobilization stressReninHomo sapiens (human)
drinking behaviorReninHomo sapiens (human)
regulation of MAPK cascadeReninHomo sapiens (human)
cell maturationReninHomo sapiens (human)
amyloid-beta metabolic processReninHomo sapiens (human)
response to cAMPReninHomo sapiens (human)
response to cGMPReninHomo sapiens (human)
cellular response to xenobiotic stimulusReninHomo sapiens (human)
juxtaglomerular apparatus developmentReninHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (5)

Processvia Protein(s)Taxonomy
aspartic-type endopeptidase activityReninHomo sapiens (human)
signaling receptor bindingReninHomo sapiens (human)
insulin-like growth factor receptor bindingReninHomo sapiens (human)
protein bindingReninHomo sapiens (human)
peptidase activityReninHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Processvia Protein(s)Taxonomy
extracellular regionReninHomo sapiens (human)
extracellular spaceReninHomo sapiens (human)
plasma membraneReninHomo sapiens (human)
apical part of cellReninHomo sapiens (human)
extracellular spaceReninHomo sapiens (human)
extracellular regionCathepsin D Bos taurus (cattle)
lysosomeCathepsin D Bos taurus (cattle)
melanosomeCathepsin D Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID20787Oral bioavailability in human2000Journal of medicinal chemistry, Feb-10, Volume: 43, Issue:3
Protease inhibitors: current status and future prospects.
AID47841Inhibitory concentration on Bovine Cathepsin D1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate.
AID125833Maximum fall in mean arterial blood pressure expressed in mmHg following a 30 mg/kg dose in monkeys.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate.
AID39381Binding affinity against aspartic protease renin.2000Journal of medicinal chemistry, Feb-10, Volume: 43, Issue:3
Protease inhibitors: current status and future prospects.
AID195613Inhibition of monkey plasma renin1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate.
AID47825Compound was evaluated for the percent inhibition of Cathepsin D in Bovine1992Journal of medicinal chemistry, Jul-10, Volume: 35, Issue:14
Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors.
AID198664In vitro inhibition of human renin.1994Journal of medicinal chemistry, Feb-18, Volume: 37, Issue:4
Non-peptide renin inhibitors containing 2-(((3-phenylpropyl)phosphoryl)oxy)alkanoic acid moieties as P2-P3 replacements.
AID156903Compound was evaluated for the percent inhibition of pepsin1992Journal of medicinal chemistry, Jul-10, Volume: 35, Issue:14
Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors.
AID195442In vitro inhibition of monkey renin.1992Journal of medicinal chemistry, Jul-10, Volume: 35, Issue:14
Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors.
AID1797677In Vitro Pepsin Inhibition Assay from Article 10.1016/S1074-5521(00)00134-4: \\Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin.\\2000Chemistry & biology, Jul, Volume: 7, Issue:7
Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin.
AID1797676In Vitro Renin Inhibition Assay from Article 10.1016/S1074-5521(00)00134-4: \\Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin.\\2000Chemistry & biology, Jul, Volume: 7, Issue:7
Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin.
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB1991Journal of structural biology, Dec, Volume: 107, Issue:3
The crystal structures of recombinant glycosylated human renin alone and in complex with a transition state analog inhibitor.
AID1811Experimentally measured binding affinity data derived from PDB1991Journal of structural biology, Dec, Volume: 107, Issue:3
The crystal structures of recombinant glycosylated human renin alone and in complex with a transition state analog inhibitor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's4 (66.67)18.2507
2000's2 (33.33)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (16.67%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (83.33%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]