Nafoxidine: An estrogen antagonist that has been used in the treatment of breast cancer. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 4416 |
| CHEMBL ID | 28211 |
| CHEBI ID | 34881 |
| SCHEMBL ID | 153125 |
| MeSH ID | M0014421 |
| Synonym |
|---|
| BIDD:ER0063 |
| nafoxidinum [inn-latin] |
| nsc 70735 |
| nafoxidine [inn] |
| brn 1440873 |
| pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)- |
| nafoxidina [inn-spanish] |
| pyrrolidine, 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)- |
| u-11000a |
| 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)pyrrolidine |
| 1845-11-0 |
| nafoxidine |
| SPECTRUM5_000222 |
| 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine |
| 11100a (*hydrochloride*) |
| nsc70735 |
| u 11100a (*hydrochloride*) |
| u-11100a (*hydrochloride*) |
| u 11100 (*hydrochloride*) |
| 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine |
| CHEMBL28211 , |
| chebi:34881 , |
| 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydro-naphthalen-1-yl)-phenoxy]-ethyl}-pyrrolidine |
| bdbm50065941 |
| NCGC00188970-01 |
| nafoxidina |
| 4riy10wm82 , |
| 5-20-01-00210 (beilstein handbook reference) |
| nafoxidinum |
| unii-4riy10wm82 |
| gtpl4263 |
| nafoxidine [who-dd] |
| SCHEMBL153125 |
| 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)pyrrolidine |
| 1-(2-[4-(6-methoxy-2-phenyl-3,4-dihydro-1-naphthalenyl)phenoxy]ethyl)pyrrolidine # |
| DTXSID7022386 |
| Q6958201 |
| pyrrolidine,1-[2-[4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy]ethyl]- |
| 1-(2-(4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)ethyl)pyrrolidine |
| AKOS040744832 |
| Excerpt | Reference |
|---|---|
| "Nafoxidine is a nonsteroidal antiestrogen available as an investigational agent from the Investigational Drug Branch of the National Cancer Institute. " | ( Carter, SK; Legha, SS; Slavik, M, 1976) |
| "Nafoxidine (NAF) acts as an estrogen agonist or antagonist depending on the animal model used. " | ( Fox-Davies, C; Korach, KS; Newbold, RR; Quarmby, VE, 1988) |
| Excerpt | Reference |
|---|---|
| "Thus Nafoxidine treatment not only arrested the development of the mammary glands in female GR mice (causing them to appear "masculinized") but it also produced abnormalities within the glands." | ( Strum, JM, 1983) |
| "In nafoxidine-treated OVX rats, concurrent progesterone administration had no effect on adipose tissue LPL activity, but progesterone did increase food intake, body weight, and carcass fat content." | ( Gray, JM; Wade, GN, 1981) |
| "Pretreatment with nafoxidine was less effective." | ( Jellinck, PH; McNabb, T, 1976) |
| Class | Description |
|---|---|
| naphthalenes | Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. |
| ring assembly | Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. |
| benzenes | Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. |
| [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 | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.0409 | 0.0007 | 4.1521 | 14.1600 | AID69383 |
| Androgen receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 12.8825 | 0.0010 | 1.9794 | 14.1600 | AID255211 |
| C-8 sterol isomerase | Saccharomyces cerevisiae S288C | Ki | 0.2320 | 0.0000 | 0.9048 | 7.1500 | AID239296 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) | Ki | 0.0009 | 0.0004 | 0.5490 | 6.7000 | AID239597 |
| Estrogen receptor beta | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.0409 | 0.0012 | 4.7652 | 14.1600 | AID69383 |
| Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) | Ki | 0.0300 | 0.0000 | 0.4901 | 10.0000 | AID239347 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| C-8 sterol isomerase activity | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) |
| steroid delta-isomerase activity | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) |
| protein binding | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) |
| identical protein binding | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) |
| cholestenol delta-isomerase activity | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Homo sapiens (human) |
| G protein-coupled opioid receptor activity | Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) |
| protein binding | Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID38613 | Relative binding affinity(RBA) against AEBS (Antiestrogen binding site) in guinea pig uterus | 1992 | Journal of medicinal chemistry, Apr-17, Volume: 35, Issue:8 | Synthesis of 2-(p-chlorobenzyl)-3-aryl-6-methoxybenzofurans as selective ligands for antiestrogen-binding sites. Effects on cell proliferation and cholesterol synthesis. |
| AID189169 | Relative binding affinity for uterine cytosolic estrogen receptors of immature rats | 1986 | Journal of medicinal chemistry, Sep, Volume: 29, Issue:9 | Studies in antifertility agents. 50. Stereoselective binding of d- and l-centchromans to estrogen receptors and their antifertility activity. |
| AID195685 | Uterotrophic activity in rats relative to estradiol (E2 = 100%) | 1986 | Journal of medicinal chemistry, Sep, Volume: 29, Issue:9 | Studies in antifertility agents. 50. Stereoselective binding of d- and l-centchromans to estrogen receptors and their antifertility activity. |
| AID69383 | Inhibition of estradiol binding to estrogen receptor | 1998 | Journal of medicinal chemistry, Jul-30, Volume: 41, Issue:16 | Discovery and preclinical pharmacology of a novel, potent, nonsteroidal estrogen receptor agonist/antagonist, CP-336156, a diaryltetrahydronaphthalene. |
| AID1676123 | Antiviral activity against pseudotyped Ebola virus - Zaire (1995) Kikwit infected in human A549 cells assessed as reduction in viral infection incubated for 24 hrs by Hoechst staining based fluorescence assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID183483 | Antiestrogenic potency was measured by inhibition of estrus in ovariectomized rats treated with 17-beta-estradiol at a dose of 0.5 mg | 1982 | Journal of medicinal chemistry, Mar, Volume: 25, Issue:3 | Antiestrogenic properties of substituted benz[a]anthracene-3,9-diols. |
| AID239296 | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | 2005 | Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15 | Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. |
| AID226387 | Relative binding affinity(RBA) against AEBS (Antiestrogen binding site) in rat liver | 1992 | Journal of medicinal chemistry, Apr-17, Volume: 35, Issue:8 | Synthesis of 2-(p-chlorobenzyl)-3-aryl-6-methoxybenzofurans as selective ligands for antiestrogen-binding sites. Effects on cell proliferation and cholesterol synthesis. |
| AID255211 | Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | 2005 | Journal of medicinal chemistry, Sep-08, Volume: 48, Issue:18 | Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. |
| AID1676121 | Antiviral activity against pseudotyped Marburgvirus-Angola infected in human A549 cells assessed as reduction in viral infection incubated for 24 hrs by Hoechst staining based fluorescence assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID1676126 | Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in human A549 cells assessed as reduction in viral infection incubated for 48 hrs by luciferase reporter gene assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID1676122 | Selectivity index, ratio of CC50 for human A549 cells to IC50 for antiviral activity against pseudotyped Ebola virus - Zaire (1995) Kikwit infected in human A549 cells | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID1676120 | Selectivity index, ratio of CC50 for human A549 cells to IC50 for antiviral activity against pseudotyped Marburgvirus-Angola infected in human A549 cells | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID38610 | Relative binding affinity(RBA) against AEBS (Antiestrogen binding site) in chicken liver | 1992 | Journal of medicinal chemistry, Apr-17, Volume: 35, Issue:8 | Synthesis of 2-(p-chlorobenzyl)-3-aryl-6-methoxybenzofurans as selective ligands for antiestrogen-binding sites. Effects on cell proliferation and cholesterol synthesis. |
| AID184492 | Antiimplantation activity in sperm-positive female albino rats mated to coeval males of proven fertility | 1986 | Journal of medicinal chemistry, Sep, Volume: 29, Issue:9 | Studies in antifertility agents. 50. Stereoselective binding of d- and l-centchromans to estrogen receptors and their antifertility activity. |
| AID1676127 | Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A549 cells assessed as reduction in viral infection incubated for 48 hrs by luciferase reporter gene assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID239597 | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | 2005 | Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15 | Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. |
| AID239347 | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | 2005 | Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15 | Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. |
| AID1676124 | Selectivity index, ratio of CC50 for human A549 cells to IC50 for antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A549 cells | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID1676125 | Selectivity index, ratio of CC50 for human A549 cells to IC50 for antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in human A549 cells | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. |
| AID681359 | TP_TRANSPORTER: ATP hydrolysis in MDR1-expressing Sf9 cells | 1994 | Biochemical pharmacology, Jul-19, Volume: 48, Issue:2 | Antiestrogens and steroid hormones: substrates of the human P-glycoprotein. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 195 (84.78) | 18.7374 |
| 1990's | 27 (11.74) | 18.2507 |
| 2000's | 5 (2.17) | 29.6817 |
| 2010's | 2 (0.87) | 24.3611 |
| 2020's | 1 (0.43) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 7 (2.88%) | 5.53% |
| Reviews | 8 (3.29%) | 6.00% |
| Case Studies | 2 (0.82%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 226 (93.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|---|
| proadifen | [no description available] | medium | 1 | 0 | diarylmethane | |
| ly 117018 | [no description available] | medium | 3 | 0 | 1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols | bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator |
| tesmilifene | [no description available] | medium | 1 | 0 | diarylmethane | |
| centchroman | [no description available] | medium | 5 | 0 | ||
| cdri 85-287 | [no description available] | medium | 1 | 0 | ||
| diethylstilbestrol | [no description available] | medium | 20 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
| tamoxifen | [no description available] | medium | 90 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
| tamoxifen | [no description available] | medium | 90 | 1 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
| cellulose sulfate | [no description available] | medium | 1 | 0 | ether; flavonoids | |
| estriol | [no description available] | medium | 11 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
| clomiphene | [no description available] | medium | 2 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
| corticosterone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 2 | 0 | stilbenoid | |
| toremifene | [no description available] | medium | 2 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| droloxifene | [no description available] | medium | 2 | 0 | stilbenoid | |
| desdimethyltamoxifen | [no description available] | medium | 1 | 0 | stilbenoid | |
| raloxifene | [no description available] | medium | 3 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| lasofoxifene | [no description available] | medium | 1 | 0 | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
| amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
| buflomedil | [no description available] | medium | 1 | 0 | aromatic ketone | |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
| trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| triparanol | [no description available] | medium | 1 | 0 | stilbenoid | anticoronaviral agent |
| 1,3-ditolylguanidine | [no description available] | medium | 1 | 0 | toluenes | |
| opipramol | [no description available] | medium | 1 | 0 | dibenzoazepine | |
| jervine | [no description available] | medium | 1 | 0 | piperidines | |
| naftifine | [no description available] | medium | 1 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
| carbizocaine | [no description available] | medium | 1 | 0 | ||
| fenpropimorph | [no description available] | medium | 1 | 0 | alkylbenzene | |
| preclamol | [no description available] | medium | 1 | 0 | ||
| enclomiphene | [no description available] | medium | 40 | 0 | ||
| enclomiphene | [no description available] | medium | 40 | 1 | ||
| zuclomiphene | [no description available] | medium | 1 | 0 | stilbenoid | |
| terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
| bm 15766 | [no description available] | medium | 1 | 0 | ||
| ne 100 | [no description available] | medium | 1 | 0 | ||
| chlordecone | [no description available] | medium | 1 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
| hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
| vanillin | [no description available] | medium | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| 2,4,5-trichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
| 4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
| dichlorodiphenyl dichloroethylene | [no description available] | medium | 1 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
| ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
| benzophenone | [no description available] | medium | 1 | 0 | benzophenones | photosensitizing agent; plant metabolite |
| endosulfan | [no description available] | medium | 1 | 0 | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
| heptachlor | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant |
| methoxychlor | [no description available] | medium | 1 | 0 | organochlorine insecticide | |
| prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| aldosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
| androsterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
| 17-desoxyestradiol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid; phenolic steroid; phenols | estrogen |
| ethinyl estradiol | [no description available] | medium | 10 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| ethinyl estradiol | [no description available] | medium | 10 | 3 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| chlordan | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
| testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
| methyltestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
| androstenedione | [no description available] | medium | 4 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| norethindrone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
| norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
| medroxyprogesterone acetate | [no description available] | medium | 3 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
| dichlorodiphenyldichloroethane | [no description available] | medium | 1 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
| bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
| p-tert-amylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| 2-sec-butylphenol | [no description available] | medium | 1 | 0 | phenols | |
| 4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
| propylparaben | [no description available] | medium | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
| butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
| methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
| monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
| 3-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
| 2,4-dihydroxybenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
| cyproterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
| epitestosterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; human metabolite |
| flavanone | [no description available] | medium | 1 | 0 | flavanones | |
| androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
| dihydrotestosterone | [no description available] | medium | 8 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| flavone | [no description available] | medium | 1 | 0 | flavones | metabolite; nematicide |
| 4-cumylphenol | [no description available] | medium | 1 | 0 | diarylmethane | |
| o,p'-ddt | [no description available] | medium | 1 | 0 | diarylmethane | |
| 4-hydroxybenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
| 4-chloro-2-cresol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | |
| 4-octylphenol | [no description available] | medium | 1 | 0 | phenols | metabolite; surfactant; xenoestrogen |
| 2,4,2',4'-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
| ac 45594 | [no description available] | medium | 1 | 0 | aromatic ether | |
| promegestone | [no description available] | medium | 6 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
| 2,4'-dichlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobiphenyl; monochlorobenzenes | |
| taleranol | [no description available] | medium | 1 | 0 | macrolide | |
| bisphenol b | [no description available] | medium | 1 | 0 | bisphenol | |
| alfatradiol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
| 4,4'-Dihydroxybenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
| 6-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
| 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | bisphenol | |
| 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene | [no description available] | medium | 1 | 0 | diarylmethane | |
| equol | [no description available] | medium | 1 | 0 | hydroxyisoflavans | |
| androstan-3-ol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
| 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol | [no description available] | medium | 1 | 0 | dichlorobenzene; hydroxybiphenyls | |
| 3,3'-Dihydroxyhexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
| 4-hydroxy-2',3',4'-5'-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | biphenyls; tetrachlorobenzene | |
| Zearalanone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | |
| 4-androstene-3,17-diol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
| 4'-hydroxyflavanone | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; monohydroxyflavanone | |
| 2,2-(2-chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene | [no description available] | medium | 1 | 0 | diarylmethane | |
| 2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
| mibolerone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid | anabolic agent; androgen |
| metribolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid | androgen |
| chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| isoeugenol | [no description available] | medium | 1 | 0 | isoeugenol | |
| 6-hydroxyflavanone | [no description available] | medium | 1 | 0 | monohydroxyflavanone | fungal xenobiotic metabolite |
| dimethylstilbestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
| genistein | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
| coumestrol | [no description available] | medium | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
| 7-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
| 4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
| 4-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | antihypertensive agent; plant metabolite |
| 4'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
| 4,4'-dihydroxystilbene | [no description available] | medium | 1 | 0 | stilbene-4,4'-diol | |
| 4-hydroxystilbene | [no description available] | medium | 1 | 0 | stilben-4-ol | |
| bazedoxifene | [no description available] | medium | 1 | 0 | phenylindole | |
| ospemifene | [no description available] | medium | 1 | 0 | aromatic ether; organochlorine compound; primary alcohol | anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator |
| ridaifen-b | [no description available] | medium | 1 | 0 | ||
| palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
| zearalenol | [no description available] | medium | 1 | 0 | ||
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| ethamoxytriphetol | [no description available] | medium | 9 | 0 | stilbenoid | |
| chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
| contraceptives, postcoital | [no description available] | medium | 3 | 0 | ||
| fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
| erythrosine | [no description available] | medium | 1 | 0 | ||
| cyclic gmp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| guanosine monophosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
| estrone | [no description available] | medium | 7 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| 4-acetoxy-4-androstene-3,17-dione | [no description available] | medium | 1 | 0 | ||
| nitromifene | [no description available] | medium | 15 | 0 | ||
| pregnenolone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
| medroxyprogesterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
| cyproterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
| metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
| afimoxifene | [no description available] | medium | 11 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
| flutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
| trioxifene | [no description available] | medium | 2 | 0 | ||
| glycogen | [no description available] | medium | 2 | 0 | ||
| ci 628m | [no description available] | medium | 2 | 0 | ||
| stilbenes | [no description available] | medium | 13 | 1 | stilbene | |
| dactinomycin | [no description available] | medium | 4 | 0 | actinomycin | mutagen |
| angiotensinogen | [no description available] | medium | 1 | 0 | ||
| acid phosphatase | [no description available] | medium | 2 | 0 | ||
| bromodeoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
| cycloheximide | [no description available] | medium | 3 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
| glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
| dithiothreitol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
| megestrol | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
| moxestrol | [no description available] | medium | 2 | 0 | 3-hydroxy steroid | |
| leucine | [no description available] | medium | 2 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| dimethylformamide | [no description available] | medium | 1 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
| hydrocortisone sodium phosphate | [no description available] | medium | 1 | 0 | steroid phosphate oxoanion | |
| ici 164384 | [no description available] | medium | 8 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
| fulvestrant | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
| ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| iodine | [no description available] | medium | 1 | 0 | halide anion; monoatomic iodine | human metabolite |
| alpha-chymotrypsin | [no description available] | medium | 1 | 0 | ||
| sodium fluoride | [no description available] | medium | 1 | 0 | fluoride salt | mutagen |
| piperidines | [no description available] | medium | 5 | 0 | ||
| raloxifene hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| bepridil | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
| hexestrol | [no description available] | medium | 3 | 0 | stilbenoid | |
| 2,4',5-trichlorobiphenyl | [no description available] | medium | 1 | 0 | ||
| triphenylethylene | [no description available] | medium | 2 | 0 | stilbenoid | |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
| bisindolylmaleimide i | [no description available] | medium | 1 | 0 | ||
| d-alpha tocopherol | [no description available] | medium | 1 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| bis(4-piperidinophenol)diimidonaphthalene-1,4,5,8-tetracarboxylic acid dibenzosulfoethylate | [no description available] | medium | 1 | 0 | ||
| ru 58668 | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
| chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
| dimenhydrinate | [no description available] | medium | 1 | 0 | diarylmethane | |
| reserpine | [no description available] | medium | 2 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
| norgestrel | [no description available] | medium | 1 | 0 | ||
| quinestrol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| potassium chloride | [no description available] | medium | 4 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
| dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| thymidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
| levodopa | [no description available] | medium | 2 | 1 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
| rifampin | [no description available] | medium | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
| 9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
| caseins | [no description available] | medium | 1 | 0 | ||
| dianhydrogalactitol | [no description available] | medium | 1 | 0 | ||
| fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
| mechlorethamine | [no description available] | medium | 1 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
| bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
| ergoline | [no description available] | medium | 1 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
| prednisone | [no description available] | medium | 2 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
| puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
| ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
| spermine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
| methotrexate | [no description available] | medium | 1 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
| melphalan | [no description available] | medium | 1 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
| ethyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
| mifepristone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
| n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
| urea | [no description available] | medium | 2 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| u 23469 | [no description available] | medium | 1 | 0 | ||
| 4-nitrobenzofurazan | [no description available] | medium | 1 | 0 | ||
| oxadiazoles | [no description available] | medium | 1 | 0 | ||
| androstane-3,17-diol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; androstanoid | |
| nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| thiophenes | [no description available] | medium | 2 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
| 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate | |
| quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
| flupenthixol | [no description available] | medium | 1 | 0 | thioxanthenes | |
| flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| indomethacin | [no description available] | medium | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
| ecdysone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
| nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
| methanol | [no description available] | medium | 1 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| nandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
| bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
| isomethyleugenol | [no description available] | medium | 1 | 0 | isomethyleugenol | |
| naphthalene | [no description available] | low | 0 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
| 2-(6-methoxy-2-naphthalenyl)propanoic acid | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| butenafine | [no description available] | low | 0 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
| hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester | [no description available] | low | 0 | 0 | acetate ester; naphthalenes; organic phosphonate | tyrosine kinase inhibitor |
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(2-naphthalenyl)-2-propen-1-one | [no description available] | low | 0 | 0 | naphthalenes | |
| ml 9 | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| w 12 | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
| n-(6-aminohexyl)-1-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| nafronyl | [no description available] | low | 0 | 0 | naphthalenes | |
| naphazoline | [no description available] | low | 0 | 0 | naphthalenes | |
| pronethalol | [no description available] | low | 0 | 0 | naphthalenes | |
| propranolol | [no description available] | low | 0 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
| sc-10 | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine | [no description available] | low | 0 | 0 | naphthalenes | |
| carbaryl | [no description available] | low | 0 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
| naphthaleneacetamide | [no description available] | low | 0 | 0 | naphthalenes; primary carboxamide | synthetic auxin |
| 1-naphthylphenylamine | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-naphthalenethiol | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-methoxynaphthalene | [no description available] | low | 0 | 0 | naphthalenes | |
| bromelia | [no description available] | low | 0 | 0 | naphthalenes | |
| neozone | [no description available] | low | 0 | 0 | naphthalenes | |
| benzo(j)fluoranthene | [no description available] | low | 0 | 0 | naphthalenes | |
| benzo(k)fluoranthene | [no description available] | low | 0 | 0 | naphthalenes | |
| chlornaphazin | [no description available] | low | 0 | 0 | naphthalenes | |
| methallenestril | [no description available] | low | 0 | 0 | naphthalenes | |
| 1,5-naphthylene di-isocyanate | [no description available] | low | 0 | 0 | naphthalenes | |
| nitrosocarbaryl | [no description available] | low | 0 | 0 | carbamate ester; naphthalenes; nitroso compound | carcinogenic agent; mutagen |
| devrinol | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid amide; naphthalenes | |
| 2,6-diisopropylnaphthalene | [no description available] | low | 0 | 0 | naphthalenes | agrochemical; plant growth retardant |
| nadoxolol | [no description available] | low | 0 | 0 | naphthalenes | |
| tolrestat | [no description available] | low | 0 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| lonapalene | [no description available] | low | 0 | 0 | naphthalenes; organochlorine compound | |
| fananserin | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| aptiganel | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-Aminoacenaphthene | [no description available] | low | 0 | 0 | naphthalenes | |
| dapoxetine | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-naphthyl sulfate | [no description available] | low | 0 | 0 | aryl sulfate; naphthalenes | |
| bexarotene | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
| 1,8-bis(dimethylamino)naphthalene | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(1,2-dihydroacenaphthylen-5-yl)ethanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1,1,6-trimethyl-1,2-dihydronaphthalene | [no description available] | low | 0 | 0 | naphthalenes | |
| 11-(dansylamino)undecanoic acid | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 5-(dimethylamino)-n-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| n-(6-phenylhexyl)-5-chloro-1-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| xaliproden hydrochloride | [no description available] | low | 0 | 0 | naphthalenes | |
| xaliproden | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine | serotonergic agonist |
| 1-naphthylacetylspermine | [no description available] | low | 0 | 0 | naphthalenes | |
| cinacalcet | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
| birb 796 | [no description available] | low | 0 | 0 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator |
| 5-(2-naphthalenylmethylidene)-1,3-diazinane-2,4,6-trione | [no description available] | low | 0 | 0 | naphthalenes | |
| 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester | [no description available] | low | 0 | 0 | naphthalenes | |
| korupensamine-b | [no description available] | low | 0 | 0 | isoquinolines; naphthalenes | |
| dioncophylline a | [no description available] | low | 0 | 0 | biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes | antifungal agent; antimalarial; metabolite; molluscicide |
| 1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidine | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 6-tert-butylnaphthalene-2,3-dicarbonitrile | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-(diethylsulfamoyl)-3-hydroxy-2-naphthalenecarboxylic acid | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 2,6-dimethyl-4-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]morpholine | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 1,3-dimethyl-6-(1-naphthalenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-(4-methyl-1-piperidinyl)-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | naphthalenes | |
| 3-methyl-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | naphthalenes; triazolothiadiazole | |
| N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N,N-diethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| spiro[1,3-dihydroperimidine-2,1'-cycloheptane] | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-phenylmethoxy-1-naphthalenecarboxaldehyde | [no description available] | low | 0 | 0 | naphthalenes | |
| alpha-naphthyl thiourea | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-[(2-methoxy-1-naphthalenyl)methyl]thiomorpholine | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(3-methoxyphenyl)-2-benzo[cd]indolamine | [no description available] | low | 0 | 0 | naphthalenes | |
| LSM-21110 | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 4-[(6-methoxy-2-naphthalenyl)sulfonyl]morpholine | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| LSM-28278 | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-(2-naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 6-(4-morpholinyl)naphthalene-2,3-dicarbonitrile | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 2-methyl-N-(2-naphthalenyl)-3-furancarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-chloro-N-(2-pyridinyl)-1-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 3-(2-benzo[cd]indolylamino)benzoic acid | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-(2-naphthalenyloxymethyl)-2-thiazolamine | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(1-naphthalenylmethoxy)benzotriazole | [no description available] | low | 0 | 0 | naphthalenes | |
| 3-chloro-4,5-dimethoxy-N-(1-naphthalenylmethyl)benzamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(1-naphthalenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-methyl-2-oxo-N-(2-pyridinyl)-6-benzo[cd]indolesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| pyrabactin | [no description available] | low | 0 | 0 | naphthalenes; organobromine compound; pyridines; sulfonamide | abscisic acid receptor agonist; hormone; plant growth regulator |
| 1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-2-phenoxyacetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carbonyl compound; naphthalenes | |
| 1-(1,2,3-benzothiadiazol-5-yl)-3-(1-naphthalenyl)urea | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N2,N2-dimethyl-6-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-ethyl-N-[3-(4-morpholinyl)propyl]-2-oxo-6-benzo[cd]indolesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 4-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-[2-(1-naphthalenyloxy)ethylthio]pyrimidine | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(2-naphthalenyl)-2-[[6-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]-2-pyridinyl]methylthio]acetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(1-naphthalenylmethyl)-3-phenylurea | [no description available] | low | 0 | 0 | naphthalenes | |
| N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2-naphthalenylamino)acetohydrazide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-butyl-N-methyl-2-benzo[cd]indolamine | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| LSM-19724 | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N-(3-chloro-2-quinoxalinyl)-2-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 2-(2-naphthalenylsulfonylamino)acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thione | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2-chloroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 2,2-dibromo-1-methyl-N-(2-naphthalenyl)-1-cyclopropanecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N'-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 1-[2-furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine | [no description available] | low | 0 | 0 | naphthalenes | |
| acetic acid [1-[(3-nitrophenyl)-(1-oxopentylamino)methyl]-2-naphthalenyl] ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butyn-1-ol | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(2-methoxyethyl)-1-methyl-2-oxo-6-benzo[cd]indolesulfonamide | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 3-(5-methyl-2-furanyl)-5-[1-(2-naphthalenylsulfonyl)-3-piperidinyl]-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(1-naphthalenyl)-3-[3-(1-pyrrolidinyl)propyl]urea | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid | [no description available] | low | 0 | 0 | naphthalenes | |
| (1R,2R)-2-[(R)-(diphenylphosphorylamino)-phenylmethyl]-N-(2-naphthalenyl)-1-cyclopropanecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-methyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| 2-(1-naphthalenyl)acetic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 1,1-dimethyl-3-[3-(4-morpholinyl)propyl]-3-(1-naphthalenylmethyl)urea | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(4-ethoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-4-dimethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolamine | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-[4-dimethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-amino-1-(dimethylamino)-4-(1-naphthalenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile | [no description available] | low | 0 | 0 | naphthalenes; quinolines | |
| 4-[4-diethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-[(1-methyl-2-imidazolyl)thio]-1-(2-naphthalenyl)ethanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester | [no description available] | low | 0 | 0 | naphthalenes; quinolines | |
| 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(1-dibutoxyphosphoryl-4-oxo-1-naphthalenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-dimethoxyphosphoryl-2-(1-naphthalenyl)-N-(phenylmethyl)-5-oxazolamine | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-amino-5-cyano-2-(1-naphthalenylmethylthio)-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| (4-chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| N-(4-methoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
| cgp 71683 a | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| bedaquiline | [no description available] | low | 0 | 0 | aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound | antitubercular agent; ATP synthase inhibitor |
| 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester | [no description available] | low | 0 | 0 | naphthalenes; sulfonic acid derivative | |
| N'-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-2-(1-naphthalenyl)acetohydrazide | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-(3-ethylphenyl)-3-(1-naphthalenyl)thiourea | [no description available] | low | 0 | 0 | naphthalenes | |
| ws-5995 c | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| np 031112 | [no description available] | low | 0 | 0 | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| (6-methoxy-2-naphthalenyl)-[1-[(2-methyl-5-thiazolyl)methyl]-3-piperidinyl]methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1,2-dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1,2-dihydroacenaphthylen-5-yl-[1-(2-pyridinylmethyl)-3-piperidinyl]methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 1-[3-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1-piperidinyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]ethanone | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-[[(4S)-2-amino-3-[2-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol | [no description available] | low | 0 | 0 | naphthalenes | |
| [5-[(4-methoxy-1-naphthalenyl)oxymethyl]-3-isoxazolyl]-(4-methoxy-1-piperidinyl)methanone | [no description available] | low | 0 | 0 | naphthalenes | |
| GRL-0617 | [no description available] | low | 0 | 0 | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
| N-(1-naphthalenylmethyl)-2-thiophenecarboxamide | [no description available] | low | 0 | 0 | naphthalenes | |
| (1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[4-cyano-2-(1-naphthalenyl)-5-oxazolyl]acetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| 2-[(4-methylphenyl)methylthio]-5-(1-naphthalenyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | naphthalenes | |
| 5-amino-2-(1-naphthalenyl)-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | naphthalenes | |
| 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| 1H-imidazole-5-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester | [no description available] | low | 0 | 0 | naphthalenes | |
| N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide | [no description available] | low | 0 | 0 | naphthalenes | |
| KOM70144 | [no description available] | low | 0 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
| lesinurad | [no description available] | low | 0 | 0 | aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles | uricosuric drug |
| difenacoum | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| bromfenacoum | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| flocoumafen | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| abt-333 | [no description available] | low | 0 | 0 | aromatic ether; naphthalenes; pyrimidone; sulfonamide | antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor |
| my 5445 | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| famprofazone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| nifenazone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| ramifenazone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| oxolamine | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| imolamine | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| difenzoquat | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| irinotecan | [no description available] | low | 0 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
| n-demethylantipyrine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-Formyl-antipyrine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-amino-1-phenyl-1H-pyrazole-4-carbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| benzpiperylone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-hydroxyantipyrine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| galgravin | [no description available] | low | 0 | 0 | aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly | bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor |
| cl 218872 | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 3-phenyl-1H-pyrazole-5-carboxylic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(2-hydroxy-4-(1,1-dimethylheptylphenyl)cyclohexan-1-ol) | [no description available] | low | 0 | 0 | alkylbenzene; ring assembly | |
| kolaviron | [no description available] | low | 0 | 0 | 4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone | hepatoprotective agent; plant metabolite |
| cgs 20625 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| diospyrin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone; ring assembly | |
| 4-methyl-7-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-phenyl-4-pyrazolol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4,5-diphenyl-1,2,3-triazole | [no description available] | low | 0 | 0 | benzenes; ring assembly; triazoles | |
| 7-amino-2-methyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N,N-dimethyl-6-phenyl-3-pyridazinamine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-[2-(3-fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[3-(4-fluorophenyl)-2,5,6-trimethyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-34623 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-17424 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-19719 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl]isoindole-1,3-dione | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| LSM-28231 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2,6-dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-phenyl-1H-cinnolin-4-one | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| Glyceryl lactopalmitate | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 7-(3,5-dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(3-methylphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1,3-diphenyl-4-pyrazolecarbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol | [no description available] | low | 0 | 0 | alkylbenzene; ring assembly | |
| 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-fluorophenyl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(4-methylphenyl)-2-phenyl-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(3,5-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-(2,4-dimethylphenyl)-2H-phthalazin-1-one | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 5-amino-3-ethyl-1-phenyl-4-pyrazolecarbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-16463 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 7-amino-2-(4-tert-butylphenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-methyl-N'-(1-oxo-2-phenoxyethyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarbohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3-bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2,5-dichloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-bromophenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-28273 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-morpholinyl-[4-[3-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-[(4-chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 2-[(3-chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 6-phenyl-5-(1-piperidinyl)-2-prop-2-enyl-3-pyridazinone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolecarbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| LSM-20639 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(3,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)-1-oxo-2-phthalazinyl]acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methylphenoxy)propanamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(4-propylphenyl)-1H-pyrazol-3-amine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]quinolin-4-yl)morpholine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| 2,5-bis(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(4-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(3,5-dimethyl-1-pyrazolyl)benzonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| sc 514 | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| 5-(2,3-dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dione | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-4-(3-furanyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(4-methoxyphenyl)-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(phenylmethyl)propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-ethyl-N-(2-ethylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 6-amino-4-methyl-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| gtp 14564 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| 5-chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[(2,6-dichlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-butanol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-butan-2-yl-2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(5-bromo-2-furanyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| sew2871 | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| am 281 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-28389 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| LSM-16826 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | [no description available] | low | 0 | 0 | alkylbenzene; ring assembly | |
| 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| 3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-tert-butyl-3-(4-chlorophenyl)-7-(2-ethyl-1-imidazolyl)pyrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| [5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 6-amino-1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | pyranopyrazole; ring assembly | |
| ginkgetin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
| amentoflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
| cupressuflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
| robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
| sciadopitysin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | bone density conservation agent; platelet aggregation inhibitor |
| 2-(4-fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[[[3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-N-cyclopropyl-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| vinorelbine | [no description available] | low | 0 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
| HTS 01037 | [no description available] | low | 0 | 0 | ring assembly; thiophenes | |
| 4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 2-(4-nitrophenoxy)-1-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethanone | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrile | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| acuminatin | [no description available] | low | 0 | 0 | 1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly | fungal metabolite; plant metabolite |
| N,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-furancarboxamide | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 6-(4-ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-chlorophenyl)-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| o-demethyltramadol | [no description available] | low | 0 | 0 | alkylbenzene; ring assembly | |
| sr 147778 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| ethiprole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| cc 401 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| ptc 124 | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| fr 180204 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly | |
| trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
| 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| dactolisib | [no description available] | low | 0 | 0 | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| pyriprole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| macitentan | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides | antihypertensive agent; endothelin receptor antagonist; orphan drug |
| 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-[3-(4-fluorophenyl)-2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(2-methoxyphenyl)propanamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| (3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| (1R,5S)-6-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| (3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-ethyl-4-[[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-2-pyrrolidinone | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 2-(3,5-dimethyl-1-pyrazolyl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ethanamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N'-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfonyl-3-pyrazolamine | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]-N-(2-oxolanylmethyl)acetamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| dafadine O | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly | P450 inhibitor |
| N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| cep 26401 | [no description available] | low | 0 | 0 | pyridazines; ring assembly | |
| cym-5442 | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| bms 708163 | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| gsk 1070916 | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| gs-5816 | [no description available] | low | 0 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
| mk-8742 | [no description available] | low | 0 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
| N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol | [no description available] | low | 0 | 0 | ring assembly; triazoles | |
| 3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| 4-methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| scytonemin | [no description available] | low | 0 | 0 | enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly | bacterial metabolite; biological pigment; ultraviolet filter |
| 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole | [no description available] | low | 0 | 0 | pyrazoles; ring assembly | |
| sta 9090 | [no description available] | low | 0 | 0 | ring assembly; triazoles | |
| opicapone | [no description available] | low | 0 | 0 | oxadiazole; ring assembly | |
| 3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| benzene | [no description available] | low | 0 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| phenylacetic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
| gallopamil | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| mandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| bencyclane | [no description available] | low | 0 | 0 | benzenes | |
| benzamidine | [no description available] | low | 0 | 0 | benzenes; carboxamidine | serine protease inhibitor |
| benzyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes; isothiocyanate | antibacterial drug |
| benzylhydrochlorothiazide | [no description available] | low | 0 | 0 | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | |
| carbetapentane | [no description available] | low | 0 | 0 | benzenes | |
| carbidopa | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| cetraxate | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| chlorpropham | [no description available] | low | 0 | 0 | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
| cimaterol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| clofilium | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| diphenidol | [no description available] | low | 0 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
| cycloadiphenine | [no description available] | low | 0 | 0 | benzenes | |
| fenipentol | [no description available] | low | 0 | 0 | benzenes | |
| 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | low | 0 | 0 | benzenes | |
| lidocaine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| isocarboxazid | [no description available] | low | 0 | 0 | benzenes | |
| labetalol | [no description available] | low | 0 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
| methadone | [no description available] | low | 0 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
| 3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| metolachlor | [no description available] | low | 0 | 0 | aromatic amide; benzenes; ether; organochlorine compound | |
| nicardipine | [no description available] | low | 0 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
| phenprobamate | [no description available] | low | 0 | 0 | benzenes | |
| sulfabenzamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
| sulfacytine | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| sulfamonomethoxine | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| sulfaquinoxaline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 2-phenylcyclopropan-1-amine | [no description available] | low | 0 | 0 | benzenes; cyclopropanes; primary amine | |
| tyropanoate | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| tolazoline hydrochloride | [no description available] | low | 0 | 0 | benzenes | |
| phenylethyl alcohol | [no description available] | low | 0 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
| mebanazine | [no description available] | low | 0 | 0 | benzenes | |
| phencyclidine | [no description available] | low | 0 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| caramiphen | [no description available] | low | 0 | 0 | benzenes | |
| acetyl sulfisoxazole | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 2-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | human xenobiotic metabolite |
| diphenyl | [no description available] | low | 0 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| styrene glycol | [no description available] | low | 0 | 0 | benzenes | |
| sulfaethidole | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| iophenoxic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| benzotrichloride | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; volatile organic compound | carcinogenic agent |
| benzal chloride | [no description available] | low | 0 | 0 | benzenes | |
| benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride; benzenes | carcinogenic agent |
| benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| methylphenylsulfide | [no description available] | low | 0 | 0 | aryl sulfide; benzenes | |
| methyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| ethyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| phenyl isocyanate | [no description available] | low | 0 | 0 | benzenes; isocyanates | allergen; hapten |
| 3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde; benzenes | flavouring agent; plant metabolite |
| 1,4-diethylbenzene | [no description available] | low | 0 | 0 | benzenes | |
| benzyl cyanide | [no description available] | low | 0 | 0 | benzenes; nitrile | animal metabolite; pheromone |
| pivalylbenzhydrazine | [no description available] | low | 0 | 0 | benzenes | |
| mexacarbate | [no description available] | low | 0 | 0 | benzenes | |
| carbutamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| methaphenilene | [no description available] | low | 0 | 0 | benzenes | |
| biphenylacetylene | [no description available] | low | 0 | 0 | arylacetylene; benzenes | fluorochrome |
| beclamide | [no description available] | low | 0 | 0 | benzenes | |
| mepiperphenidol | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| glybuthiazol | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| phenylacetylene | [no description available] | low | 0 | 0 | benzenes | |
| sulfanilylurea | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| metahexamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| nitrosobenzene | [no description available] | low | 0 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
| triphenylphosphine | [no description available] | low | 0 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
| 2-cyanophenol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| bensulide | [no description available] | low | 0 | 0 | benzenes | |
| 1-phenylcyclohex-1-ene | [no description available] | low | 0 | 0 | benzenes | |
| diphenyl disulfide | [no description available] | low | 0 | 0 | benzenes | |
| 2-phenylpropanol | [no description available] | low | 0 | 0 | benzenes | |
| methyl phenyl sulfoxide | [no description available] | low | 0 | 0 | benzenes; sulfoxide | |
| 2,6-dimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzenes; carbonyl compound | |
| phenylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| pyrazon | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; primary amino compound; pyridazinone | environmental contaminant; herbicide; xenobiotic |
| 3-phenylpropylamine | [no description available] | low | 0 | 0 | benzenes; phenylalkylamine; primary amino compound | |
| aminorex | [no description available] | low | 0 | 0 | benzenes | |
| 5-phenylvaleric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| bitoscanate | [no description available] | low | 0 | 0 | benzenes | |
| 3-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antibacterial agent; bacterial xenobiotic metabolite |
| teclozan | [no description available] | low | 0 | 0 | benzenes | |
| dioxacarb | [no description available] | low | 0 | 0 | benzenes | |
| fenestrel | [no description available] | low | 0 | 0 | benzenes | |
| propham | [no description available] | low | 0 | 0 | benzenes; carbamate ester | herbicide; plant growth retardant |
| cyanophenphos | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N'-methyl-N,N-diphenylurea | [no description available] | low | 0 | 0 | benzenes | |
| dibenzo-18-crown-6 | [no description available] | low | 0 | 0 | benzenes; crown ether | phase-transfer catalyst |
| clobutinol | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| phenyl acetate | [no description available] | low | 0 | 0 | benzenes; phenyl acetates | |
| ripazepam | [no description available] | low | 0 | 0 | benzenes | |
| u 40481 | [no description available] | low | 0 | 0 | benzenes; formamidines | marine xenobiotic metabolite |
| iprodione | [no description available] | low | 0 | 0 | benzenes; dichlorophenyl dicarboximide fungicide; imidazole fungicide; imidazolidine-2,4-dione; ureas | antifungal agrochemical; nematicide |
| clorsulon | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| ibutilide | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| prosulfocarb | [no description available] | low | 0 | 0 | benzenes; monothiocarbamic ester | environmental contaminant; herbicide; xenobiotic |
| Isopropyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| 4-methyl-1-phenylpentan-2-ol | [no description available] | low | 0 | 0 | benzenes | |
| magnesium salicylate | [no description available] | low | 0 | 0 | benzenes; carbonyl compound | |
| plerixafor | [no description available] | low | 0 | 0 | azacycloalkane; 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 |
| tribuzone | [no description available] | low | 0 | 0 | benzenes | |
| phenylpropiolic acid | [no description available] | low | 0 | 0 | acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes | |
| 2-Oxo-4-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes | |
| emopamil | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| bathophenanthroline | [no description available] | low | 0 | 0 | benzenes; phenanthrolines | chelator |
| 2-aminobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 3-phenylpropyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes | |
| 4-chloro-5-sulfamoylanthranilic acid | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| phenylheptatriyne | [no description available] | low | 0 | 0 | benzenes | |
| methyl mandelate | [no description available] | low | 0 | 0 | benzenes | |
| benzylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| 9,10-bis(phenylethynyl)anthracene | [no description available] | low | 0 | 0 | anthracenes; arylacetylene; benzenes | fluorochrome |
| 4-phenylbutylamine | [no description available] | low | 0 | 0 | benzenes; phenylalkylamine; primary amino compound | |
| 3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| sdds | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 1-hydroxy-1-phenyl-2-propanone | [no description available] | low | 0 | 0 | benzenes; methyl ketone; secondary alpha-hydroxy ketone | |
| silomat | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| phenylisopropyladenosine | [no description available] | low | 0 | 0 | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent |
| alpha-Cyclohexylmandelic acid | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-1-phenylmethyl phosphonic acid | [no description available] | low | 0 | 0 | benzenes; phosphonic acids; primary amino compound | |
| alpha-methylphenylalanine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| piscidic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| mitiglinide | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide | [no description available] | low | 0 | 0 | benzenes; coumarins; maleimides; tertiary amino compound | fluorescent dye |
| 4-phenylbutyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| n-acetylphenelzine | [no description available] | low | 0 | 0 | benzenes | |
| forasartan | [no description available] | low | 0 | 0 | benzenes; pyridines; tetrazoles; triazoles | angiotensin receptor antagonist; antihypertensive agent |
| desethyloxybutynin | [no description available] | low | 0 | 0 | benzenes | |
| varespladib | [no description available] | low | 0 | 0 | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor |
| 3,5-dihydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| fukiic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| monodesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| cyclodrine | [no description available] | low | 0 | 0 | benzenes | |
| didesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| carlina oxide | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes; beta-D-glucoside | plant metabolite |
| cafenstrole | [no description available] | low | 0 | 0 | benzenes; sulfone; triazoles | agrochemical; antimitotic; herbicide |
| (5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | low | 0 | 0 | benzenes | |
| pifithrin mu | [no description available] | low | 0 | 0 | benzenes | |
| 2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes; chromones | plant metabolite |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| N-bis(N-methylanilino)phosphoryl-N-methylaniline | [no description available] | low | 0 | 0 | benzenes | |
| 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N-benzylquinazolin-4-amine | [no description available] | low | 0 | 0 | benzenes; quinazolines; secondary amino compound | |
| 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | [no description available] | low | 0 | 0 | benzenes | |
| thiobenzamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | aryl sulfide; benzenes; thienopyrimidine | |
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N-methyl-N-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine | [no description available] | low | 0 | 0 | benzenes | |
| 1-cyclohexyl-3-(2-phenylethyl)urea | [no description available] | low | 0 | 0 | benzenes | |
| 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester | [no description available] | low | 0 | 0 | benzenes | |
| 1,3-bis(2-phenylethyl)thiourea | [no description available] | low | 0 | 0 | benzenes | |
| 8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | benzenes; triazolothiadiazole | |
| 4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(1H-imidazol-1-ylmethyl)benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-(3-phenylpropyl)methanesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| amn082 | [no description available] | low | 0 | 0 | benzenes; diamine; diarylmethane; secondary amino compound | metabotropic glutamate receptor agonist; neuroprotective agent |
| 2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide | [no description available] | low | 0 | 0 | benzenes | |
| N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| N1-phenethylhydrazine-1-carbothioamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-hydroxy-5,5-dimethyl-2-phenyltetrahydro-4H-imidazole-4-thione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| N-(cyclopropylmethyl)-N'-phenylurea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 2-(4-pentylphenyl)acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| k 858 | [no description available] | low | 0 | 0 | benzenes | |
| 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-phenyl-3H-thiazole-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| sulfatolamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| ifetroban | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| 1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester | [no description available] | low | 0 | 0 | benzenes; pyranopyrazole | |
| 3-phenyl-3-(1-tetrazolyl)propanoic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| 3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide | [no description available] | low | 0 | 0 | benzenes | |
| 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea | [no description available] | low | 0 | 0 | benzenes | |
| neticonazole | [no description available] | low | 0 | 0 | aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide | antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| l796778 | [no description available] | low | 0 | 0 | benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas | somatostatin receptor agonist |
| l803087 | [no description available] | low | 0 | 0 | benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide | somatostatin receptor agonist |
| ro 4-6790 | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| bay 11-7085 | [no description available] | low | 0 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
| gluconasturtiin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid; benzenes | |
| DPI2 | [no description available] | low | 0 | 0 | benzenes; morpholines; secondary carboxamide; tertiary amino compound; thiazolidinone | ferroptosis inducer |
| l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
| glucotropeolin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid; benzenes | |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether; benzenes; psoralens | geroprotector; immunosuppressive agent; potassium channel blocker |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
| bm 567 | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether; benzenes; indoles; methyl ester; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug |
| npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
| chlorobactene | [no description available] | low | 0 | 0 | benzenes; carotenoid phi-end group; carotenoid | bacterial metabolite |
| phevalin | [no description available] | low | 0 | 0 | benzenes; pyrazinone | bacterial metabolite; calpain inhibitor |
| ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
| 3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| SYC-435 | [no description available] | low | 0 | 0 | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| trelagliptin | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide | [no description available] | low | 0 | 0 | benzenes | |
| (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| phenylmercuric acetate | [no description available] | low | 0 | 0 | arylmercury compound; benzenes | |
| sm 164 | [no description available] | low | 0 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
| 5-Methyl-1-phenyl-3-hexanyl sulfamate | [no description available] | low | 0 | 0 | benzenes | |
| 1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide | [no description available] | low | 0 | 0 | benzenes | |
| 1,1,1,2,2-pentafluoro-7-phenylheptan-3-one | [no description available] | low | 0 | 0 | benzenes | |
| 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| warfarin | [no description available] | low | 0 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
| gsk2879552 | [no description available] | low | 0 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
| Article | Year |
|---|---|
| Inhibition of volume-regulated anion channels in cultured endothelial cells by the anti-oestrogens clomiphene and nafoxidine. British journal of pharmacology, Volume: 132, Issue: 1 | 2001 |
| [information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | |
| Article | Year |
|---|---|
| Fundamental differences in the action of estrogens and antiestrogens on the uterus: comparison between compounds with similar duration of action. Endocrinology, Volume: 100, Issue: 5 | 1977 |
| [information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | |