Compounds > nonoxynol-9

Page last updated: 2024-12-06

nonoxynol-9

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Description

tergitol NP-9 : A tergitol polymer consisting of nonylbenzene with a nine-membered poly(ethylene glycol) moiety attached at position 4. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID Source	ID
PubMed CID	72385
CHEMBL ID	1410
CHEBI ID	53775
SCHEMBL ID	36844
MeSH ID	M0026039

Synonyms (74)

Synonym
peg-9 nonyl phenyl ether
today sponge
emko
nonoxynol 9
conceptrol
gynol ii
semicid
delfen
intercept
BSPBIO_003546
26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
n9
k-y plus nonoxynol-9
n-9
26571-11-9
conco ni-90
dowfax 9n9, neutronyx 611
nonoxynol-9
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
tergitol tp-9
co-630sp
staycept
c-film
KBIO3_002833
SPBIO_001154
SPECTRUM2_001247
SPECTRUM3_001946
SPECTRUM1505292
NCGC00095907-02
HMS2093O22
DB06804
norfox np-9
nonoxinolum 9
nsc-758941
nonoxynol-9.5
CHEMBL1410
nonoxynol, n=9
nonaethylene glycol nonylphenyl ether
tergitol np-9
nonylphenol octa(oxyethylene) ethanol
nonaethylene glycol mono(nonylphenyl) ether
tergitol np9
CHEBI:53775 ,
26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
NCGC00095907-03
pharmakon1600-01505292
nsc758941
CCG-39124
nsc 758941
einecs 247-816-5
3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol, 26-(nonylphenoxy)-
n 9
hsdb 8094
AKOS015910808
BRD-K88625236-001-01-8
bdbm50442874
SCHEMBL36844
Q-201490
14409-72-4
AB01563056_01
1-(4-nonylphenyl)-1,4,7,10,13,16,19,22,25-nonaoxaheptacosan-27-ol
DTXSID00858720
SR-05000001885-1
sr-05000001885
J-016227
SBI-0206761.P001
nonylphenol-9-ethoxylate
npeo9
Q420039
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-ethoxy]ethoxy]ethoxy]ethoxy]ethanol
alosetronhydrochloride
nonoxynol9
3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol, 26-(4-nonylphenoxy)-
EN300-18530984

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

Roles (2)

Role	Description
nonionic surfactant	A surfactant with an uncharged hydrophilic headgroup.
contraceptive drug	A chemical substance that prevents or reduces the probability of conception.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

Class	Description
tergitol	A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-nonylphenyl ether.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (31)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	35.4813	5.6234	17.2929	31.6228	AID485281
Chain A, Cruzipain	Trypanosoma cruzi	Potency	10.0000	0.0020	14.6779	39.8107	AID1476
USP1 protein, partial	Homo sapiens (human)	Potency	50.1187	0.0316	37.5844	354.8130	AID504865
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	39.8107	0.0112	12.4002	100.0000	AID1030
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	31.6228	0.0398	16.7842	39.8107	AID995
ubiquitin carboxyl-terminal hydrolase 2 isoform a	Homo sapiens (human)	Potency	2.5119	0.6561	9.4520	25.1189	AID927
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	35.4813	0.0079	8.2332	1,122.0200	AID2546; AID2551
peripheral myelin protein 22	Rattus norvegicus (Norway rat)	Potency	19.7408	0.0056	12.3677	36.1254	AID624032; AID624044
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	7.0795	0.1259	12.2344	35.4813	AID1458
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	31.6228	0.0316	10.2792	39.8107	AID884; AID885
caspase-1 isoform alpha precursor	Homo sapiens (human)	Potency	31.6228	0.0003	11.4484	31.6228	AID900
lamin isoform A-delta10	Homo sapiens (human)	Potency	0.0089	0.8913	12.0676	28.1838	AID1487
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)	Potency	2.5119	1.5849	13.0043	25.1189	AID927
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	12.2248	31.6228	AID885
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)	IC50 (µMol)	3.7153	0.1047	2.7195	7.0795	AID977603
Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)	Ki	2.8700	0.0800	2.4688	9.8000	AID977604
Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)	IC50 (µMol)	3.4674	0.0500	2.3797	9.7000	AID977600
Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)	Ki	1.9200	0.0440	1.3630	5.0000	AID977601
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (48)

Process	via Protein(s)	Taxonomy
positive regulation of epidermal growth factor receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to hypoxia	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
neutrophil mediated immunity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
germinal center formation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of leukocyte chemotaxis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
proteolysis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane protein ectodomain proteolysis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell adhesion	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch receptor processing	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell population proliferation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to xenobiotic stimulus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of T cell chemotaxis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
protein processing	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
signal release	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
B cell differentiation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell growth	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell migration	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to lipopolysaccharide	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of chemokine production	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of tumor necrosis factor production	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
regulation of mast cell apoptotic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
T cell differentiation in thymus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell adhesion mediated by integrin	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
wound healing, spreading of epidermal cells	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
amyloid precursor protein catabolic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cyclin-dependent protein serine/threonine kinase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of epidermal growth factor-activated receptor activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
spleen development	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell motility	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
defense response to Gram-positive bacterium	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cellular response to high density lipoprotein particle stimulus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
commissural neuron axon guidance	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of tumor necrosis factor-mediated signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of vascular endothelial cell proliferation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
xenobiotic metabolic process	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
monoatomic ion transport	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
organic anion transport	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
bile acid and bile salt transport	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
heme catabolic process	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
sodium-independent organic anion transport	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
transmembrane transport	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
xenobiotic metabolic process	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
monoatomic ion transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
organic anion transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
bile acid and bile salt transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
prostaglandin transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
heme catabolic process	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
sodium-independent organic anion transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
transmembrane transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
thyroid hormone transport	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (20)

Process	via Protein(s)	Taxonomy
endopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metalloendopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
interleukin-6 receptor binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
integrin binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
protein binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
peptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metallopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
SH3 domain binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytokine binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
PDZ domain binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
tumor necrosis factor binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metal ion binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metalloendopeptidase activity involved in amyloid precursor protein catabolic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
serine-type endopeptidase inhibitor activity	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
bile acid transmembrane transporter activity	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
sodium-independent organic anion transmembrane transporter activity	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
bile acid transmembrane transporter activity	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
sodium-independent organic anion transmembrane transporter activity	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
thyroid hormone transmembrane transporter activity	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (15)

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
cell-cell junction	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
focal adhesion	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
ruffle membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Golgi membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytoplasm	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
endoplasmic reticulum lumen	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytosol	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell surface	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
actin cytoskeleton	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
apical plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane raft	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
basal plasma membrane	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
basolateral plasma membrane	Solute carrier organic anion transporter family member 1B3	Homo sapiens (human)
plasma membrane	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
basal plasma membrane	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
membrane	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
basolateral plasma membrane	Solute carrier organic anion transporter family member 1B1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (85)

Assay ID	Title	Year	Journal	Article
AID1244344	Antifungal activity against Sporothrix schenckii incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1190623	Terminal half life in rabbit administered intravaginally after 1 hr	2015	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 25, Issue:4	Dithiocarbamate-thiourea hybrids useful as vaginal microbicides also show reverse transcriptase inhibition: design, synthesis, docking and pharmacokinetic studies.
AID977604	Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1190616	Spermicidal activity against human sperm by microscopic analysis	2015	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 25, Issue:4	Dithiocarbamate-thiourea hybrids useful as vaginal microbicides also show reverse transcriptase inhibition: design, synthesis, docking and pharmacokinetic studies.
AID386921	Antifungal activity against Candida albicans after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID301285	Antifungal activity against Candida albicans MTCC 183 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID1244338	Inhibition of HIV1 reverse transcriptase at 100 ug/ml incubated for 1 hr by ELISA method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1054552	Spermicidal activity in human semen assessed as sperm immobilization at 0.1 % w/v up to 30 seconds by phase contrast microscopy	2013	European journal of medicinal chemistry, , Volume: 70	Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: design, synthesis and docking studies.
AID301292	Antifungal activity against Candida albicans ATCC 66027 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID301290	Antifungal activity against Candida albicans ATCC 10453 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID550087	Antifungal activity against Candida parapsilosis after 48 hrs by broth microdilution assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID550088	Antifungal activity against Candida albicans MTCC-183 after 48 hrs by broth microdilution assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID677472	Cytotoxicity against human HeLa cells by MTT assay	2012	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17	Synthesis of 3-(1-alkyl/aminoalkyl-3-vinyl-piperidin-4-yl)-1-(quinolin-4-yl)-propan-1-ones and their 2-methylene derivatives as potential spermicidal and microbicidal agents.
AID685501	HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells	2012	Proceedings of the National Academy of Sciences of the United States of America, May-29, Volume: 109, Issue:22	Liver-stage malaria parasites vulnerable to diverse chemical scaffolds.
AID550089	Antifungal activity against Candida albicans isolate CDRI after 48 hrs by broth microdilution assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID263884	Spermicidal activity against human spermatozoa	2006	Bioorganic & medicinal chemistry letters, May-01, Volume: 16, Issue:9	The spermicidal and antitrichomonas activities of SSRI antidepressants.
AID467903	Antifungal activity against Candida albicans after 48 hrs by broth microdilution technique	2010	European journal of medicinal chemistry, Feb, Volume: 45, Issue:2	Imidazole derivatives as possible microbicides with dual protection.
AID467909	Cytotoxicity against human HeLa cells at 200 ug/ml after 24 hrs by MTT assay	2010	European journal of medicinal chemistry, Feb, Volume: 45, Issue:2	Imidazole derivatives as possible microbicides with dual protection.
AID1054550	Cytotoxicity against human HeLa cells after 24 hrs by LDH assay	2013	European journal of medicinal chemistry, , Volume: 70	Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: design, synthesis and docking studies.
AID677473	Antimicrobial activity against Lactobacillus jensenii	2012	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17	Synthesis of 3-(1-alkyl/aminoalkyl-3-vinyl-piperidin-4-yl)-1-(quinolin-4-yl)-propan-1-ones and their 2-methylene derivatives as potential spermicidal and microbicidal agents.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID263885	Antitrichomonas activity against Trichomonas vaginalis after 48 hrs	2006	Bioorganic & medicinal chemistry letters, May-01, Volume: 16, Issue:9	The spermicidal and antitrichomonas activities of SSRI antidepressants.
AID1244343	Antifungal activity against Cryptococcus neoformans incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID977601	Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID550086	Antifungal activity against Candida albicans after 48 hrs by broth microdilution assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID386926	Antifungal activity against Candida parapsilosis ATCC 22019 after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID550083	Cytotoxicity against human HeLa cells at 200 ug/ml after 24 hrs by MTT based colorimetric assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID664684	Toxicity against Lactobacillus jensenii ATCC 25258	2012	ACS medicinal chemistry letters, Feb-09, Volume: 3, Issue:2	Potentiating Metronidazole Scaffold against Resistant Trichomonas: Design, Synthesis, Biology and 3D-QSAR Analysis.
AID301286	Antifungal activity against Candida albicans MTCC 1346 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID386920	Spermicidal activity in liquefied human semen assessed as drug level required to kill 100% sperm in 20 seconds	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID677410	Spermicidal activity against human spermatozoa at 10 mg/ml by modified sander-cramer assay	2012	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17	Synthesis of 3-(1-alkyl/aminoalkyl-3-vinyl-piperidin-4-yl)-1-(quinolin-4-yl)-propan-1-ones and their 2-methylene derivatives as potential spermicidal and microbicidal agents.
AID301287	Antifungal activity against Candida albicans ATCC 10231 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID1190615	Antimicrobial activity against Trichomonas vaginalis after 3 to 48 hrs by trypan blue exclusion assay	2015	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 25, Issue:4	Dithiocarbamate-thiourea hybrids useful as vaginal microbicides also show reverse transcriptase inhibition: design, synthesis, docking and pharmacokinetic studies.
AID685503	HARVARD: Inhibition of blood stage Plasmodium falciparum Dd2 infection	2012	Proceedings of the National Academy of Sciences of the United States of America, May-29, Volume: 109, Issue:22	Liver-stage malaria parasites vulnerable to diverse chemical scaffolds.
AID1244357	Terminal half life in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1244347	Antifungal activity against Candida parapsilosis ATCC 22019 incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1244339	Spermicidal activity in liquefied human semen assessed as reduction in motile spermatozoa incubated at 37 degC for 30 mins	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1054549	Growth inhibition of Lactobacillus acidophilus after 72 hrs by colony counting method	2013	European journal of medicinal chemistry, , Volume: 70	Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: design, synthesis and docking studies.
AID301289	Antifungal activity against Candida parapsilosis ATCC 22019 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID386924	Antifungal activity against Trichophyton mentagrophytes after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID433251	Spermicidal activity in rat spermatozoa assessed as sperm mobilization	2009	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 19, Issue:16	Efficient synthesis of 3,3-diheteroaromatic oxindole analogues and their in vitro evaluation for spermicidal potential.
AID664683	Cytotoxicity against human HeLa cells	2012	ACS medicinal chemistry letters, Feb-09, Volume: 3, Issue:2	Potentiating Metronidazole Scaffold against Resistant Trichomonas: Design, Synthesis, Biology and 3D-QSAR Analysis.
AID1244346	Antifungal activity against Aspergillus fumigatus incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID550085	Antitrichomonas activity against Trichomonas vaginalis after 48 hrs by trypan blue exclusion assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID301284	Antifungal activity against Candida albicans after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID301291	Antifungal activity against Candida albicans ATCC 60193 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID301288	Antifungal activity against Candida krusei ATCC 6258 after 48 hrs by broth micro dilution technique	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID1054551	Trichomonacidal activity against Trichomonas vaginalis after 48 hrs by trypan blue exclusion assay	2013	European journal of medicinal chemistry, , Volume: 70	Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: design, synthesis and docking studies.
AID1244354	Tmax in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID386922	Antifungal activity against Cryptococcus neoformans after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID1244351	Stability in simulated vaginal fluid at pH 4.2 at 200 ug/ml by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID467908	Antifungal activity against Candida parapsilosis after 48 hrs by broth microdilution technique	2010	European journal of medicinal chemistry, Feb, Volume: 45, Issue:2	Imidazole derivatives as possible microbicides with dual protection.
AID467900	Sperimcidal activity against human spermatozoa assessed as sperm motility at 1 % drug solution%	2010	European journal of medicinal chemistry, Feb, Volume: 45, Issue:2	Imidazole derivatives as possible microbicides with dual protection.
AID977600	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1244355	Apparent oral volume of distribution in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID386925	Antifungal activity against Aspergillus fumigatus after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID301282	Spermicidal activity against human spermatozoa	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Synthesis of disulfide esters of dialkylaminocarbothioic acid as potent, non-detergent spermicidal agents.
AID677471	Antimicrobial activity against Trichomonas vaginalis ATCC 25258	2012	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17	Synthesis of 3-(1-alkyl/aminoalkyl-3-vinyl-piperidin-4-yl)-1-(quinolin-4-yl)-propan-1-ones and their 2-methylene derivatives as potential spermicidal and microbicidal agents.
AID386923	Antifungal activity against Sporothrix schenckii after 48 hrs by broth microdilution technique	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID1244341	Anti-trichomonas activity against MTZ-resistant Trichomonas vaginalis incubated for 3 to 48 hrs by trypan blue exclusion assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID550084	Spermicidal activity against human spermatozoa assessed as immobilization measured for 60 seconds by visual scoring	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID1244340	Anti-trichomonas activity against MTZ-susceptible Trichomonas vaginalis incubated for 3 to 48 hrs by trypan blue exclusion assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID550090	Antifungal activity against Candida albicans NCIM-3557 after 48 hrs by broth microdilution assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID1244345	Antifungal activity against Trichophyton mentagrophytes incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1244358	Drug level in plasma of New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1244352	Cmax in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1054553	Spermicidal activity in human semen assessed as sperm immobilization at 1.0 % w/v up to 30 seconds by phase contrast microscopy	2013	European journal of medicinal chemistry, , Volume: 70	Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: design, synthesis and docking studies.
AID1244342	Antifungal activity against Candida albicans incubated for 48 hrs by broth micro-dilution method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID1190622	Cmax in rabbit administered administered intravaginally after 1 hr	2015	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 25, Issue:4	Dithiocarbamate-thiourea hybrids useful as vaginal microbicides also show reverse transcriptase inhibition: design, synthesis, docking and pharmacokinetic studies.
AID1244356	Apparent oral clearance in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID571948	Toxicity against human cervical tissue explants after 2 hrs by MTT assay	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	Inhibition of human immunodeficiency virus type 1 infection by the candidate microbicide dapivirine, a nonnucleoside reverse transcriptase inhibitor.
AID685500	HARVARD: Cytotoxicity in HepG2 cell line	2012	Proceedings of the National Academy of Sciences of the United States of America, May-29, Volume: 109, Issue:22	Liver-stage malaria parasites vulnerable to diverse chemical scaffolds.
AID467902	Antitrichomonal activity against Trichomonas vaginalis after 48 hrs by trypan blue exclusion assay	2010	European journal of medicinal chemistry, Feb, Volume: 45, Issue:2	Imidazole derivatives as possible microbicides with dual protection.
AID1244353	AUC (0 to infinity) in New-Zealand rabbit at 33 mg/kg dosed through vaginal administration by LC-MS/MS method	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	N-Alkyl/aryl-4-(3-substituted-3-phenylpropyl)piperazine-1-carbothioamide as dual-action vaginal microbicides with reverse transcriptase inhibition.
AID386927	Antitrichomonas activity against Trichomonas vaginalis after 48 hrs by trypan blue staining	2008	European journal of medicinal chemistry, Oct, Volume: 43, Issue:10	Carbodithioic acid esters of fluoxetine, a novel class of dual-function spermicides.
AID664682	Spermicidal activity against human spermatozoa assessed as immobilization measured for 60 seconds	2012	ACS medicinal chemistry letters, Feb-09, Volume: 3, Issue:2	Potentiating Metronidazole Scaffold against Resistant Trichomonas: Design, Synthesis, Biology and 3D-QSAR Analysis.
AID1183876	Cytotoxicity against human HeLa cells	2014	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 24, Issue:16	Design and synthesis of γ-butyrolactone derivatives as potential spermicidal agents.
AID571949	Toxicity against human cervical tissue explants after 24 hrs by MTT assay	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	Inhibition of human immunodeficiency virus type 1 infection by the candidate microbicide dapivirine, a nonnucleoside reverse transcriptase inhibitor.
AID677470	Antimicrobial activity against clinical isolate of Trichomonas vaginalis	2012	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17	Synthesis of 3-(1-alkyl/aminoalkyl-3-vinyl-piperidin-4-yl)-1-(quinolin-4-yl)-propan-1-ones and their 2-methylene derivatives as potential spermicidal and microbicidal agents.
AID977603	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID550082	Toxicity against Lactobacillus acidophilus at 200 ug/ml after 24 hrs by microplate reader	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception.
AID1183875	Spermicidal activity in human semen assessed as induction of spermatozoa immotility at <0.1% w/v by Sander-Cramer method	2014	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 24, Issue:16	Design and synthesis of γ-butyrolactone derivatives as potential spermicidal agents.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (17)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	5 (29.41)	29.6817
2010's	12 (70.59)	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: 71.45

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

Metric	This Compound (vs All)
Research Demand Index	71.45 (24.57)
Research Supply Index	2.89 (2.92)
Research Growth Index	4.70 (4.65)
Search Engine Demand Index	120.54 (26.88)
Search Engine Supply Index	2.05 (0.95)

This Compound (71.45)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (5.88%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	16 (94.12%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	2.07	1	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
clomiphene [no description available]	2.07	1	tertiary amine	estrogen antagonist; estrogen receptor modulator
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	3.31	6	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	2.04	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	3.45	7	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.78	3	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	2.07	1	aromatic ether; benzimidazoles; pyridines; sulfoxide
pyrimethamine Maloprim: contains above 2 cpds	2.07	1	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
delavirdine Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.. delavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.	2.05	1	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
primaquine phosphate [no description available]	2.07	1
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	2.07	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
dequalinium chloride dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.	2.07	1	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
antimycin a [no description available]	2.07	1	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
decoquinate Decoquinate: A coccidiostat for poultry.	2.07	1
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	2.07	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
ciclopirox olamine ciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.	2.07	1
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	2.07	1	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
fluoxetine hydrochloride fluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.	2.03	1	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
paroxetine hydrochloride paroxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.	2.03	1	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
sertraline hydrochloride sertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.	2.03	1	hydrochloride	antidepressant; serotonin uptake inhibitor
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.05	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
proadifen hydrochloride [no description available]	2.07	1
telmisartan Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.	2.07	1	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
atovaquone Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.. atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.	2.07	1	hydroxy-1,2-naphthoquinone
cinchonine [no description available]	2.07	1	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
Serotonin hydrochloride [no description available]	2.03	1	tryptamines
dapivirine Dapivirine: effectively prevented human immunodeficiency virus (HIV) infection in cocultures of monocyte-derived dendritic cells and T cells, representing primary targets in sexual transmission	2.05	1
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	2.07	1	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
shikonin shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities	2.07	1	hydroxy-1,4-naphthoquinone
evp 4593 EVP 4593: an NF-kappaB pathway inhibitor; structure in first source	2.07	1
tenatoprazole Tenatoprazole: structure in first source	2.07	1	imidazopyridine
trisindoline trisindoline: an antibiotic indole trimer, produced by Vibrio separated from the marine sponge Hyrtios altum; structure given in first source	2.05	1
emetine dihydrochloride emetine dihydrochloride : The dihydrochloride salt of emetine.. emetine dihydrochloride hydrate : A hydrate that is the monohydrate of the dihydrochloride salt of emetine.	2.07	1	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
clemastine fumarate clemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.	2.07	1	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
cyclosporine ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF	2.07	1	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
lasalocid sodium lasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry.	2.07	1	benzoates; organic sodium salt	coccidiostat; ionophore
sq 80338 1-(3-phenyl-2-propenyl)-1H-imidazole: potent thromboxane synthetase inhibitor	2.06	1
1-methyl-d-lysergic acid butanolamide [no description available]	2.07	1	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
fluvoxamine maleate [no description available]	2.03	1	(trifluoromethyl)benzenes
gedunin [no description available]	2.07	1	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
monensin [no description available]	2.07	1
salinomycin [no description available]	2.07	1
zaprinast zaprinast: anaphylaxis inhibitor; structure	2.07	1	triazolopyrimidines

Condition	Indicated	Relationship Strength	Studies
HIV Coinfection [description not available]	0	2.05	1
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).	1	4.05	1
Infections, Plasmodium [description not available]	0	2.07	1
Plasmodium falciparum Malaria [description not available]	0	2.07	1
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	0	2.07	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	0	2.07	1
Infections, Trichomonas [description not available]	0	2.07	1
Trichomonas Infections Infections in birds and mammals produced by various species of Trichomonas.	0	2.07	1
HIV Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2.	0	2.11	1
Benign Neoplasms [description not available]	0	3.03	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	0	3.03	1

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