Page last updated: 2024-11-05

1-chloronaphthalene

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

Description

1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID7003
CHEMBL ID195338
SCHEMBL ID19854
MeSH IDM0098543

Synonyms (56)

Synonym
LS-13738
nsc6166
90-13-1
nsc-6166
.alpha.-chloronaphthalene
1-chloronaphthalene
wln: l66j bg
.alpha.-chlornaphthalene
naphthalene, 1-chloro-
chloronaphthalene
inchi=1/c10h7cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7
NCGC00091252-01
nsc 6166
1-naphthyl chloride
einecs 201-967-3
alpha-chlornaphthalene
ai3-00035
hsdb 5269
1-chlornaftalen [czech]
ccris 5546
alpha-naphthyl chloride
alpha-chloronaphthalene
1-chloronaphthalene, technical grade
C2310
bdbm50159260
1-chloro-naphthalene
CHEMBL195338 ,
AKOS000121237
NCGC00091252-02
cas-90-13-1
NCGC00258377-01
dtxcid904791
tox21_200823
dtxsid2024791 ,
25586-43-0
unii-k4oif2ec56
k4oif2ec56 ,
1-chlornaftalen
FT-0607652
basileum
chloronaphthalene, 1-
1-chloronaphthalene [hsdb]
1-chloronaphthalene [mi]
5-chloronaphthalene
1-chloronaphthalin
SCHEMBL19854
1-naphthalenyl chloride
.alpha.-naphthyl chloride
mfcd00003874
1-chloronaphthalene, technical, >=85% (gc)
1-chloronaphthalene 10 microg/ml in acetonitrile
1-chloronaphthalene 10 microg/ml in isooctane
Q161607
D89503
EN300-21612
Z104504716

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Potent and specific inhibitors of the CYP2A6 enzyme can be used in the future to increase nicotine bioavailability and thus make oral nicotine administration feasible in smoking cessation therapy."( Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
Juvonen, RO; Poso, A; Rahnasto, M; Raunio, H; Wittekindt, C, 2005
)
0.33
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
GLI family zinc finger 3Homo sapiens (human)Potency1.50750.000714.592883.7951AID1259369
estrogen receptor 2 (ER beta)Homo sapiens (human)Potency11.97420.000657.913322,387.1992AID1259377
estrogen nuclear receptor alphaHomo sapiens (human)Potency53.48690.000229.305416,493.5996AID743079
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency17.06610.023723.228263.5986AID743223
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency67.33600.000323.4451159.6830AID743065
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Cytochrome P450 1A2Homo sapiens (human)IC50 (µMol)50.00000.00011.774010.0000AID241334
Cytochrome P450 2A6Homo sapiens (human)IC50 (µMol)17.99440.00443.889510.0000AID241172; AID420671
Cytochrome P450 2A5Mus musculus (house mouse)IC50 (µMol)13.99801.00004.20259.7051AID241174; AID420670
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (27)

Processvia Protein(s)Taxonomy
steroid catabolic processCytochrome P450 1A2Homo sapiens (human)
porphyrin-containing compound metabolic processCytochrome P450 1A2Homo sapiens (human)
xenobiotic metabolic processCytochrome P450 1A2Homo sapiens (human)
cholesterol metabolic processCytochrome P450 1A2Homo sapiens (human)
estrogen metabolic processCytochrome P450 1A2Homo sapiens (human)
toxin biosynthetic processCytochrome P450 1A2Homo sapiens (human)
post-embryonic developmentCytochrome P450 1A2Homo sapiens (human)
alkaloid metabolic processCytochrome P450 1A2Homo sapiens (human)
regulation of gene expressionCytochrome P450 1A2Homo sapiens (human)
monoterpenoid metabolic processCytochrome P450 1A2Homo sapiens (human)
dibenzo-p-dioxin metabolic processCytochrome P450 1A2Homo sapiens (human)
epoxygenase P450 pathwayCytochrome P450 1A2Homo sapiens (human)
lung developmentCytochrome P450 1A2Homo sapiens (human)
methylationCytochrome P450 1A2Homo sapiens (human)
monocarboxylic acid metabolic processCytochrome P450 1A2Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 1A2Homo sapiens (human)
retinol metabolic processCytochrome P450 1A2Homo sapiens (human)
long-chain fatty acid biosynthetic processCytochrome P450 1A2Homo sapiens (human)
cellular respirationCytochrome P450 1A2Homo sapiens (human)
aflatoxin metabolic processCytochrome P450 1A2Homo sapiens (human)
hydrogen peroxide biosynthetic processCytochrome P450 1A2Homo sapiens (human)
oxidative demethylationCytochrome P450 1A2Homo sapiens (human)
cellular response to cadmium ionCytochrome P450 1A2Homo sapiens (human)
omega-hydroxylase P450 pathwayCytochrome P450 1A2Homo sapiens (human)
xenobiotic metabolic processCytochrome P450 2A6Homo sapiens (human)
steroid metabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin metabolic processCytochrome P450 2A6Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin catabolic processCytochrome P450 2A6Homo sapiens (human)
epoxygenase P450 pathwayCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (16)

Processvia Protein(s)Taxonomy
monooxygenase activityCytochrome P450 1A2Homo sapiens (human)
iron ion bindingCytochrome P450 1A2Homo sapiens (human)
protein bindingCytochrome P450 1A2Homo sapiens (human)
electron transfer activityCytochrome P450 1A2Homo sapiens (human)
oxidoreductase activityCytochrome P450 1A2Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 1A2Homo sapiens (human)
enzyme bindingCytochrome P450 1A2Homo sapiens (human)
heme bindingCytochrome P450 1A2Homo sapiens (human)
demethylase activityCytochrome P450 1A2Homo sapiens (human)
caffeine oxidase activityCytochrome P450 1A2Homo sapiens (human)
aromatase activityCytochrome P450 1A2Homo sapiens (human)
estrogen 16-alpha-hydroxylase activityCytochrome P450 1A2Homo sapiens (human)
estrogen 2-hydroxylase activityCytochrome P450 1A2Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activityCytochrome P450 1A2Homo sapiens (human)
iron ion bindingCytochrome P450 2A6Homo sapiens (human)
coumarin 7-hydroxylase activityCytochrome P450 2A6Homo sapiens (human)
enzyme bindingCytochrome P450 2A6Homo sapiens (human)
heme bindingCytochrome P450 2A6Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 2A6Homo sapiens (human)
arachidonic acid epoxygenase activityCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
endoplasmic reticulum membraneCytochrome P450 1A2Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 1A2Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 1A2Homo sapiens (human)
endoplasmic reticulum membraneCytochrome P450 2A6Homo sapiens (human)
cytoplasmic microtubuleCytochrome P450 2A6Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2A6Homo sapiens (human)
cytoplasmCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (7)

Assay IDTitleYearJournalArticle
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
AID241172Inhibitory concentration against human cytochrome P450 2A62005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID420670Inhibition of mouse CYP2A52009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.
AID420671Inhibition of human CYP2A62009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.
AID241174Inhibitory concentration against mouse cytochrome P450 2A52005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID241334Inhibitory concentration against recombinant human cytochrome P450 1A22005Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.
AID242975Ratio of IC50 for human CYP2A6 to that of mouse CYP2A5 was determined2005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (16)

TimeframeStudies, This Drug (%)All Drugs %
pre-19903 (18.75)18.7374
1990's0 (0.00)18.2507
2000's8 (50.00)29.6817
2010's5 (31.25)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: 47.97

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 strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index47.97 (24.57)
Research Supply Index3.04 (2.92)
Research Growth Index5.11 (4.65)
Search Engine Demand Index69.33 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (47.97)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies2 (10.00%)4.05%
Observational0 (0.00%)0.25%
Other18 (90.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]