Compounds > kni 10006

Page last updated: 2024-11-11

kni 10006

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

Cross-References

ID Source	ID
PubMed CID	9895503
CHEMBL ID	231522
SCHEMBL ID	13788265
MeSH ID	M0511965

Synonyms (16)

Synonym
(4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CHEMBL231522 ,
kni-10006
(r)-3-((2s,3s)-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-n-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide
bdbm50209559
3KDB
3QS1
3FNU
SCHEMBL13788265
461444-55-3
Q27447750
4-thiazolidinecarboxamide, n-((1s,2r)-2,3-dihydro-2-hydroxy-1h-inden-1-yl)-3-((2s,3s)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4r)-
(4r)-n-((1s,2r)-2,3-dihydro-2-hydroxy-1h-inden-1-yl)-3-((2s,3s)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-4-thiazolidinecarboxamide
21bkd6t22e ,
kni10006
unii-21bkd6t22e

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (19)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, HAP protein	Plasmodium falciparum 3D7	IC50 (µMol)	0.6900	0.6900	0.6900	0.6900	AID977608
Chain A, Plasmepsin-1	Plasmodium falciparum (malaria parasite P. falciparum)	Ki	0.0110	0.0110	0.0110	0.0110	AID977610
Chain B, Plasmepsin-1	Plasmodium falciparum (malaria parasite P. falciparum)	Ki	0.0110	0.0110	0.0110	0.0110	AID977610
Cathepsin D	Homo sapiens (human)	Ki	0.0020	0.0000	0.0012	0.0020	AID437082
Alpha-1B adrenergic receptor	Rattus norvegicus (Norway rat)	Ki	0.0005	0.0001	0.9490	10.0000	AID437077
Alpha-2B adrenergic receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.6900	0.0003	1.0914	7.7625	AID437095
Alpha-2C adrenergic receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.6900	0.0003	1.0914	7.7625	AID437095
Alpha-2A adrenergic receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.6900	0.0003	1.0691	7.7625	AID437095
Alpha-1D adrenergic receptor	Rattus norvegicus (Norway rat)	Ki	0.0013	0.0000	0.5751	10.0000	AID437077; AID437082
Plasmepsin-1	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	0.2800	0.0009	0.1405	0.2800	AID437093
Alpha-1A adrenergic receptor	Rattus norvegicus (Norway rat)	Ki	0.0005	0.0000	0.9650	10.0000	AID437077
Plasmepsin-2	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	0.0390	0.0004	0.6963	2.4000	AID437092
Plasmepsin-2	Plasmodium falciparum (malaria parasite P. falciparum)	Ki	0.0005	0.0005	0.1730	1.0000	AID290578; AID388007; AID437077; AID494150
HAP protein	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	0.6900	0.6900	0.6900	0.6900	AID437095
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
Chain B, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
Chain A, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
Chain B, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
Chain A, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
Chain B, Protease	Human immunodeficiency virus type 1 (BRU ISOLATE)	Kd	0.0001	0.0001	0.0001	0.0001	AID977611
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (9)

Process	via Protein(s)	Taxonomy
autophagosome assembly	Cathepsin D	Homo sapiens (human)
proteolysis	Cathepsin D	Homo sapiens (human)
antigen processing and presentation of exogenous peptide antigen via MHC class II	Cathepsin D	Homo sapiens (human)
insulin receptor recycling	Cathepsin D	Homo sapiens (human)
lipoprotein catabolic process	Cathepsin D	Homo sapiens (human)
positive regulation of apoptotic process	Cathepsin D	Homo sapiens (human)
positive regulation of cysteine-type endopeptidase activity involved in apoptotic process	Cathepsin D	Homo sapiens (human)
regulation of establishment of protein localization	Cathepsin D	Homo sapiens (human)
insulin catabolic process	Cathepsin D	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (5)

Process	via Protein(s)	Taxonomy
cysteine-type endopeptidase activity	Cathepsin D	Homo sapiens (human)
protein binding	Cathepsin D	Homo sapiens (human)
peptidase activity	Cathepsin D	Homo sapiens (human)
aspartic-type peptidase activity	Cathepsin D	Homo sapiens (human)
aspartic-type endopeptidase activity	Cathepsin D	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (14)

Process	via Protein(s)	Taxonomy
collagen-containing extracellular matrix	Cathepsin D	Homo sapiens (human)
extracellular region	Cathepsin D	Homo sapiens (human)
extracellular space	Cathepsin D	Homo sapiens (human)
lysosome	Cathepsin D	Homo sapiens (human)
lysosomal membrane	Cathepsin D	Homo sapiens (human)
endosome membrane	Cathepsin D	Homo sapiens (human)
endosome lumen	Cathepsin D	Homo sapiens (human)
specific granule lumen	Cathepsin D	Homo sapiens (human)
melanosome	Cathepsin D	Homo sapiens (human)
lysosomal lumen	Cathepsin D	Homo sapiens (human)
membrane raft	Cathepsin D	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin D	Homo sapiens (human)
extracellular exosome	Cathepsin D	Homo sapiens (human)
tertiary granule lumen	Cathepsin D	Homo sapiens (human)
ficolin-1-rich granule lumen	Cathepsin D	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay ID	Title	Year	Journal	Article
AID388008	Inhibition of recombinant HIV1 protease at 50 nM	2008	Bioorganic & medicinal chemistry, Dec-01, Volume: 16, Issue:23	Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.
AID290580	Antimicrobial activity against Plasmodium falciparum in erythrocytes	2007	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 17, Issue:11	Additional interaction of allophenylnorstatine-containing tripeptidomimetics with malarial aspartic protease plasmepsin II.
AID388007	Inhibition of Plasmodium falciparum plasmepsin-2	2008	Bioorganic & medicinal chemistry, Dec-01, Volume: 16, Issue:23	Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.
AID437090	Antiplasmodial activity against Plasmodium falciparum infected in erythrocyte culture	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID437077	Inhibition of Plasmodium falciparum plasmepsin-2 expressed in Escherichia coli BL21 (DE3) by fluorometric assay	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID437093	Inhibition of Plasmodium falciparum plasmepsin-1	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID437092	Inhibition of Plasmodium falciparum plasmepsin-2	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID494150	Inhibition of Plasmodium falciparum plasmepsin-2	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16	Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution.
AID290578	Inhibition of Plasmodium falciparum plasmepsin-2	2007	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 17, Issue:11	Additional interaction of allophenylnorstatine-containing tripeptidomimetics with malarial aspartic protease plasmepsin II.
AID437095	Inhibition of Plasmodium falciparum histo-aspartyl protease	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID494151	Antiplasmodial activity against Plasmodium falciparum D6 infected in human erythrocytes by SYBR green I fluorescence assay	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16	Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution.
AID388006	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 in type O+ human erythrocytes after 48 hrs as reduced [3H]hypoxanthine uptake	2008	Bioorganic & medicinal chemistry, Dec-01, Volume: 16, Issue:23	Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.
AID437086	Selectivity ratio of Ki for human liver cathepsin D to Ki for Plasmodium falciparum plasmepsin-2 expressed in Escherichia coli BL21 (DE3)	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID437082	Inhibition of human liver cathepsin D	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID437094	Inhibition of Plasmodium falciparum plasmepsin-4	2009	Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16	alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2010	Chemical biology & drug design, Feb, Volume: 75, Issue:2	How much binding affinity can be gained by filling a cavity?
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2011	Journal of structural biology, Jul, Volume: 175, Issue:1	Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2009	Journal of molecular biology, May-08, Volume: 388, Issue:3	Crystal structures of the histo-aspartic protease (HAP) from Plasmodium falciparum.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	4 (57.14)	29.6817
2010's	3 (42.86)	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]

Market Indicators

Research Demand Index: 12.19

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	12.19 (24.57)
Research Supply Index	2.08 (2.92)
Research Growth Index	4.27 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.19)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	2.05	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
kynostatin 272 kynostatin 272: structure given in first source; contains allophenylnorstatine as a transition-state mimic	2.03	1	0	peptide
kynostatin 227 kynostatin 227: structure given in first source; contains allophenylnorstatine as a transition-state mimic	2.03	1	0
je 2147 [no description available]	2.05	1	0