Compounds > krh 1636
Page last updated: 2024-12-08

krh 1636

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Description

KRH 1636: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID465968
CHEMBL ID2367715
SCHEMBL ID4076464
MeSH IDM0449431

Synonyms (16)

Synonym
n-[(1s)-4-guanidino-1-[[(1s)-1-(1-naphthyl)ethyl]carbamoyl]butyl]-4-[(2-pyridylmethylamino)methyl]benzamide
krh 1636
krh-1636
krh1636
benzamide, n-[(1s)-4-[(aminoiminomethyl)amino]-1-[[[(1s)-1-(1-naphthalenyl)ethyl]amino]carbonyl]butyl]-4-[[(2-pyridinylmethyl)amino]methyl]-
n-[(2s)-5-(diaminomethylideneamino)-1-[[(1s)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CHEMBL2367715 ,
SCHEMBL4076464
568526-77-2
y4lkc2sd6w ,
(2s)-5-carbamimidamido-n-((1s)-1-(naphthalen-1-yl)ethyl)-2-((4-((((pyridin-2-yl)methyl)amino)methyl)phenyl)formamido)pentanamide
n-((1s)-4-((aminoiminomethyl)amino)-1-((((1s)-1-(1-naphthalenyl)ethyl)amino)carbonyl)butyl)-4-(((2-pyridinylmethyl)amino)methyl)benzamide
benzamide, n-((1s)-4-((aminoiminomethyl)amino)-1-((((1s)-1-(1-naphthalenyl)ethyl)amino)carbonyl)butyl)-4-(((2-pyridinylmethyl)amino)methyl)-
unii-y4lkc2sd6w
n-((s)-5-guanidino-1-(((s)-1-(naphthalen-1-yl)ethyl)amino)-1-oxopentan-2-yl)-4-(((pyridin-2-ylmethyl)amino)methyl)benzamide
bdbm50458286
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
C-X-C chemokine receptor type 4Homo sapiens (human)IC50 (µMol)0.01300.00030.28766.2000AID1383291
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (44)

Processvia Protein(s)Taxonomy
calcium-mediated signalingC-X-C chemokine receptor type 4Homo sapiens (human)
response to hypoxiaC-X-C chemokine receptor type 4Homo sapiens (human)
neuron migrationC-X-C chemokine receptor type 4Homo sapiens (human)
epithelial cell developmentC-X-C chemokine receptor type 4Homo sapiens (human)
dendritic cell chemotaxisC-X-C chemokine receptor type 4Homo sapiens (human)
apoptotic processC-X-C chemokine receptor type 4Homo sapiens (human)
inflammatory responseC-X-C chemokine receptor type 4Homo sapiens (human)
G protein-coupled receptor signaling pathwayC-X-C chemokine receptor type 4Homo sapiens (human)
neuron recognitionC-X-C chemokine receptor type 4Homo sapiens (human)
response to virusC-X-C chemokine receptor type 4Homo sapiens (human)
response to activityC-X-C chemokine receptor type 4Homo sapiens (human)
telencephalon cell migrationC-X-C chemokine receptor type 4Homo sapiens (human)
regulation of cell adhesionC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of cell migrationC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of vascular wound healingC-X-C chemokine receptor type 4Homo sapiens (human)
CXCL12-activated CXCR4 signaling pathwayC-X-C chemokine receptor type 4Homo sapiens (human)
regulation of programmed cell deathC-X-C chemokine receptor type 4Homo sapiens (human)
myelin maintenanceC-X-C chemokine receptor type 4Homo sapiens (human)
endothelial cell differentiationC-X-C chemokine receptor type 4Homo sapiens (human)
symbiont entry into host cellC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of oligodendrocyte differentiationC-X-C chemokine receptor type 4Homo sapiens (human)
regulation of viral processC-X-C chemokine receptor type 4Homo sapiens (human)
regulation of chemotaxisC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of chemotaxisC-X-C chemokine receptor type 4Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of painC-X-C chemokine receptor type 4Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of painC-X-C chemokine receptor type 4Homo sapiens (human)
regulation of calcium ion transportC-X-C chemokine receptor type 4Homo sapiens (human)
cardiac muscle contractionC-X-C chemokine receptor type 4Homo sapiens (human)
endothelial tube morphogenesisC-X-C chemokine receptor type 4Homo sapiens (human)
cellular response to cytokine stimulusC-X-C chemokine receptor type 4Homo sapiens (human)
cellular response to organonitrogen compoundC-X-C chemokine receptor type 4Homo sapiens (human)
cellular response to xenobiotic stimulusC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of cold-induced thermogenesisC-X-C chemokine receptor type 4Homo sapiens (human)
response to tacrolimusC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of dendrite extensionC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of vasculature developmentC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of mesenchymal stem cell migrationC-X-C chemokine receptor type 4Homo sapiens (human)
response to ultrasoundC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of macrophage migration inhibitory factor signaling pathwayC-X-C chemokine receptor type 4Homo sapiens (human)
neurogenesisC-X-C chemokine receptor type 4Homo sapiens (human)
cell chemotaxisC-X-C chemokine receptor type 4Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationC-X-C chemokine receptor type 4Homo sapiens (human)
immune responseC-X-C chemokine receptor type 4Homo sapiens (human)
brain developmentC-X-C chemokine receptor type 4Homo sapiens (human)
calcium-mediated signalingC-X-C chemokine receptor type 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (13)

Processvia Protein(s)Taxonomy
virus receptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
actin bindingC-X-C chemokine receptor type 4Homo sapiens (human)
G protein-coupled receptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
protein bindingC-X-C chemokine receptor type 4Homo sapiens (human)
coreceptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
C-X-C chemokine receptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
C-C chemokine bindingC-X-C chemokine receptor type 4Homo sapiens (human)
ubiquitin protein ligase bindingC-X-C chemokine receptor type 4Homo sapiens (human)
myosin light chain bindingC-X-C chemokine receptor type 4Homo sapiens (human)
small molecule bindingC-X-C chemokine receptor type 4Homo sapiens (human)
C-X-C motif chemokine 12 receptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
ubiquitin bindingC-X-C chemokine receptor type 4Homo sapiens (human)
C-C chemokine receptor activityC-X-C chemokine receptor type 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
lysosomeC-X-C chemokine receptor type 4Homo sapiens (human)
early endosomeC-X-C chemokine receptor type 4Homo sapiens (human)
cytoplasmC-X-C chemokine receptor type 4Homo sapiens (human)
lysosomeC-X-C chemokine receptor type 4Homo sapiens (human)
early endosomeC-X-C chemokine receptor type 4Homo sapiens (human)
late endosomeC-X-C chemokine receptor type 4Homo sapiens (human)
plasma membraneC-X-C chemokine receptor type 4Homo sapiens (human)
cell surfaceC-X-C chemokine receptor type 4Homo sapiens (human)
cell leading edgeC-X-C chemokine receptor type 4Homo sapiens (human)
cytoplasmic vesicleC-X-C chemokine receptor type 4Homo sapiens (human)
extracellular exosomeC-X-C chemokine receptor type 4Homo sapiens (human)
anchoring junctionC-X-C chemokine receptor type 4Homo sapiens (human)
protein-containing complexC-X-C chemokine receptor type 4Homo sapiens (human)
external side of plasma membraneC-X-C chemokine receptor type 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (8)

Assay IDTitleYearJournalArticle
AID1383292Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhibition of virus replication by MTT assay2018European journal of medicinal chemistry, Apr-10, Volume: 149The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.
AID1383295Plasma concentration in Wistar rat at 200 mg/ml/kg administered intraduodenal after 60 mins by LC-MS analysis2018European journal of medicinal chemistry, Apr-10, Volume: 149The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.
AID1383294Bioavailability in Wistar rat at 200 mg/ml/kg administered intraduodenal by LC-MS analysis2018European journal of medicinal chemistry, Apr-10, Volume: 149The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.
AID662533Displacement of [125I]-CXCL12 from CXCR4 expressed in human Jurkat cells at 10 uM relative to T1402012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
Pharmacophore-based small molecule CXCR4 ligands.
AID662535Cytotoxicity against human MT4 cells assessed as reduction of cell viability2012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
Pharmacophore-based small molecule CXCR4 ligands.
AID1383291Displacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysis2018European journal of medicinal chemistry, Apr-10, Volume: 149The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.
AID662534Antiviral activity against X4-tropic HIV1 NL4.3 infected in human MT4 cells assessed as protection from virus-induced cytopathogenicity2012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
Pharmacophore-based small molecule CXCR4 ligands.
AID1383293Cytotoxicity against human MT4 cells assessed as reduction in cell viability2018European journal of medicinal chemistry, Apr-10, Volume: 149The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.
[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's0 (0.00)18.2507
2000's3 (50.00)29.6817
2010's3 (50.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.51 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

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]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.		2.9640arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
zidovudine
Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.		2.0710azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
plerixafor
plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2. plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.		3.2710azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
jm 2763
JM 2763: a bicyclam; structurally related to SID 791; inhibits human immunodeficiency replication		3.2710
amd 8664
[no description available]		3.2710
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.		2.1110one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
vicriviroc
vicriviroc: structure in first source		2.0710(trifluoromethyl)benzenes
cyclo(d-tyrosyl-arginyl-arginyl-3-(2-naphthyl)alanyl-glycyl)
[no description available]		2.0710oligopeptide
ConditionIndicatedRelationship StrengthStudiesTrials
HIV Coinfection
[description not available]		02.4520
HIV Infections
Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).		02.4520
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.0410