1-methyl-2-nitroimidazole is a synthetic compound that has been investigated for its potential medicinal properties. It has been shown to exhibit antimicrobial activity against a range of bacteria and parasites, including *Helicobacter pylori*, *Trypanosoma cruzi*, and *Leishmania donovani*. The compound's mechanism of action involves the reduction of the nitro group to a nitroso group, which then reacts with cellular components to disrupt their function. This has led to research into its potential as an anti-infective agent. Furthermore, 1-methyl-2-nitroimidazole has also been investigated for its potential as a radiosensitizer, meaning it can enhance the effectiveness of radiation therapy in treating cancer. The compound's ability to generate reactive oxygen species (ROS) upon exposure to radiation is thought to contribute to its radiosensitizing effect. These studies highlight the potential of 1-methyl-2-nitroimidazole as a promising lead compound for the development of novel antimicrobial and anticancer drugs. Further research is ongoing to explore its therapeutic potential and optimize its pharmacological properties.'
| ID Source | ID |
|---|---|
| PubMed CID | 15477 |
| CHEMBL ID | 303522 |
| SCHEMBL ID | 1979557 |
| SCHEMBL ID | 17145913 |
| MeSH ID | M0125700 |
| Synonym |
|---|
| nsc307223 |
| nsc-307223 |
| wln: t5n cnj a1 bnw |
| 1h-imidazole, 1-methyl-2-nitro- |
| imidazole, 1-methyl-2-nitro- |
| 1-methyl-2-nitroimidazole |
| 1671-82-5 |
| nsc 307223 |
| brn 0607942 |
| ccris 1311 |
| CHEMBL303522 |
| AKOS006278739 |
| 1-methyl-2-nitro-1h-imidazole |
| SCHEMBL1979557 |
| 1-methyl-2-nitro-1h-imidazole # |
| SCHEMBL17145913 |
| DTXSID30168228 |
| mfcd01721434 |
| DS-4557 |
| 2-nitro-1-methylimidazole |
| ka-111 |
| sr-2519 |
| R74LUE6SLE |
| AMY13951 |
| A882267 |
| BAA67182 |
| SY235546 |
| CS-0131264 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " INO was very toxic towards HT-29 cells and was equally toxic under aerobic and hypoxic conditions." | ( Cytotoxicity and glutathione depletion by 1-methyl-2-nitrosoimidazole in human colon cancer cells. Gipp, JJ; McClelland, RA; Mulcahy, RT; Panicucci, R; Ublacker, GA, 1989) | 0.28 |
| " Results demonstrated that INO2 was toxic under hypoxic conditions (tested via colony-forming assay) at concentrations where no toxicity was observed for aerobic cells." | ( Mechanism of the selective hypoxic cytotoxicity of 1-methyl-2-nitroimidazole. Brezden, CB; McClelland, RA; Rauth, AM, 1994) | 0.54 |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID25092 | Ionization constant (pKa) | 1991 | Journal of medicinal chemistry, Jul, Volume: 34, Issue:7 | Direct prediction of dissociation constants (pKa's) of clonidine-like imidazolines, 2-substituted imidazoles, and 1-methyl-2-substituted-imidazoles from 3D structures using a comparative molecular field analysis (CoMFA) approach. |
| AID26397 | Dissociation constant (pKa, calculated using GNN method) | 1997 | Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26 | Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications. |
| AID25595 | Dissociation constant was evaluated | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 3 (25.00) | 18.7374 |
| 1990's | 9 (75.00) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 0 (0.00) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.19) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 12 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| 4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 1.99 | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
| benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 1.99 | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| choline [no description available] | 1.99 | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
| 3-chlorobenzoic acid [no description available] | 1.99 | 1 | 0 | monochlorobenzoic acid | drug metabolite |
| dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 1.99 | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
| imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 2.68 | 3 | 0 | imidazole | |
| 4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. | 1.99 | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
| bw 284 c 51 [no description available] | 1.99 | 1 | 0 | ||
| 1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 2.68 | 3 | 0 | imidazoles | |
| tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. | 1.99 | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. | 1.97 | 1 | 0 | clonidine; imidazoline | |
| etanidazole Etanidazole: A nitroimidazole that sensitizes hypoxic tumor cells that are normally resistant to radiation therapy.. etanidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. | 1.96 | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent |
| metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. | 1.96 | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
| pentamidine Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. | 1.99 | 1 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
| corticosterone [no description available] | 1.99 | 1 | 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 |
| prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 1.99 | 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 |
| estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl. | 1.99 | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
| aldosterone [no description available] | 1.99 | 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 |
| estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 1.99 | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| androsterone [no description available] | 1.99 | 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 |
| etiocholanolone Etiocholanolone: The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.. 3alpha-hydroxy-5beta-androstan-17-one : An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals. | 1.99 | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
| dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. | 1.99 | 1 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 1.99 | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
| 4-nitrobenzoic acid 4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position. | 1.99 | 1 | 0 | nitrobenzoic acid | |
| androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. | 1.99 | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| desoxycorticosterone Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE | 1.99 | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| 17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 1.99 | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
| 4-chlorobenzoic acid 4-chlorobenzoic acid: RN given refers to parent cpd. 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4. | 1.99 | 1 | 0 | monochlorobenzoic acid | bacterial xenobiotic metabolite |
| 4-tert-butylbenzoic acid 4-tert-butylbenzoic acid: RN given refers to parent cpd | 1.99 | 1 | 0 | alkylbenzene | |
| 3-toluic acid 3-toluic acid: RN given refers to parent cpd; structure | 1.99 | 1 | 0 | methylbenzoic acid | human xenobiotic metabolite |
| 3-aminobenzoic acid 3-aminobenzoic acid: RN given refers to parent cpd. 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. | 1.99 | 1 | 0 | aminobenzoic acid | |
| 3-hydroxybenzoic acid 3-hydroxybenzoic acid: RN given refers to parent cpd. 3-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. | 1.99 | 1 | 0 | monohydroxybenzoic acid | bacterial metabolite; plant metabolite |
| 4-toluic acid 4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4. | 1.99 | 1 | 0 | methylbenzoic acid | |
| 4-anisic acid 4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4. | 1.99 | 1 | 0 | methoxybenzoic acid | plant metabolite |
| 4-nitroacetophenone 4-nitroacetophenone : A member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group. | 1.96 | 1 | 0 | acetophenones; C-nitro compound | |
| neostigmine bromide neostigmine bromide : The bromide salt of neostigmine. | 1.99 | 1 | 0 | bromide salt | |
| 3-nitrobenzoic acid 3-nitrobenzoic acid: RN given refers to parent cpd | 1.99 | 1 | 0 | ||
| pregnenolone [no description available] | 1.99 | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
| edrophonium bromide [no description available] | 1.99 | 1 | 0 | ||
| nandrolone Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. | 1.99 | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
| 4-(trifluoromethyl)benzoic acid 4-trifluoromethylbenzoic acid : A benzoic acid carrying a 4-trifluoromethyl substituent. | 1.99 | 1 | 0 | (trifluoromethyl)benzenes; benzoic acids | |
| 3-fluorobenzoic acid [no description available] | 1.99 | 1 | 0 | fluorobenzoic acid | |
| 4-fluorobenzoic acid [no description available] | 1.99 | 1 | 0 | fluorobenzoic acid | bacterial xenobiotic metabolite |
| androstenediol Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES).. androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. | 1.99 | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
| dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. | 1.99 | 1 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| azomycin azomycin: RN given refers to parent cpd with specified locant; structure | 3.84 | 12 | 0 | C-nitro compound; imidazoles | antitubercular agent |
| 3-methoxybenzoic acid [no description available] | 1.99 | 1 | 0 | methoxybenzoic acid | flavouring agent; human urinary metabolite |
| 4-bromobenzoic acid 4-bromobenzoic acid : A bromobenzoic acid carrying a single bromo subsituent at the 4-position. | 1.99 | 1 | 0 | bromobenzoic acid | |
| algestone Algestone: A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.. algestone : A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. | 1.99 | 1 | 0 | 16alpha-hydroxy steroid; 17-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; C21-steroid; tertiary alpha-hydroxy ketone | progestin |
| 3-iodobenzoate 3-iodobenzoic acid: RN given refers to unlabeled parent cpd. 3-iodobenzoic acid : An iodobenzoic acid with a single iodo substituent placed at the 3-position. | 1.99 | 1 | 0 | iodobenzoic acid | |
| 4-ethylbenzoic acid [no description available] | 1.99 | 1 | 0 | benzoic acids | |
| 4-cyanobenzoic acid [no description available] | 1.99 | 1 | 0 | ||
| 2-methylimidazole [no description available] | 2.68 | 3 | 0 | ||
| 2-methyl-5-nitroimidazole 2-methyl-4(5)-nitroimidazole: structure in first source | 1.93 | 1 | 0 | C-nitro compound; imidazoles | |
| chlormequat Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. | 1.99 | 1 | 0 | quaternary ammonium ion | plant growth retardant |
| 3-hydroxyphenyltrimethylammonium 3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure | 1.99 | 1 | 0 | ||
| 2,3,7,8-tetrachlorodibenzodioxine Tetrachlorodibenzodioxin: A mixture of isomers. | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
| methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine . | 2.67 | 3 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
| 2,4,2',4'-tetrachlorobiphenyl 2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. | 1.99 | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
| butyrylcholine butyrylcholine: RN given refers to parent cpd | 1.99 | 1 | 0 | acylcholine | |
| octachlorodibenzo-4-dioxin octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
| butyrylthiocholine Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. | 1.99 | 1 | 0 | quaternary ammonium ion | |
| st 91 ST 91: RN given refers to parent cpd; structure | 1.97 | 1 | 0 | substituted aniline | |
| buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. | 2.67 | 3 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
| misonidazole Misonidazole: A nitroimidazole that sensitizes normally radio-resistant hypoxic cells to radiation. It may also be directly cytotoxic to hypoxic cells and has been proposed as an antineoplastic. | 1.96 | 1 | 0 | ||
| 2-chlorodibenzofuran 2-chlorodibenzofuran: structure | 1.99 | 1 | 0 | ||
| 1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
| pcb 118 [no description available] | 1.99 | 1 | 0 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | |
| 3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. | 1.99 | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
| 2,3,3',4,4'-pentachlorobiphenyl [no description available] | 1.99 | 1 | 0 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | |
| 2,3,4,5-tetrachlorobiphenyl tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4. | 1.99 | 1 | 0 | tetrachlorobenzene; tetrachlorobiphenyl | |
| 1,2,7,8-tetrachlorodibenzo-p-dioxin 1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source | 1.99 | 1 | 0 | ||
| 2,4,5,2',4',5'-hexachlorobiphenyl [no description available] | 1.99 | 1 | 0 | hexachlorobiphenyl | |
| thiocholine Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain. | 1.99 | 1 | 0 | ||
| 2,3,3',4,4',5-hexachlorobiphenyl [no description available] | 1.99 | 1 | 0 | dichlorobenzene; hexachlorobiphenyl; tetrachlorobenzene | |
| 2,8-dichlorodibenzo-4-dioxin 2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD | 1.99 | 1 | 0 | ||
| 1,2,3,4,7,8-hexachlorodibenzodioxin 1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
| 1,2,4-trichlorodibenzo-1,4-dioxin 1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source | 1.99 | 1 | 0 | ||
| 1,2,3,7,8-pentachlorodibenzo-p-dioxin [no description available] | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
| 2,3,7,8-tetrabromodibenzo-4-dioxin 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8. | 1.99 | 1 | 0 | dibenzodioxine; organobromine compound | |
| 2,3,7,8-tetrachlorodibenzofuran 2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
| 2,3,4,7,8-pentachlorodibenzofuran 2,3,4,7,8-pentachlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
| 1,2,3,7,8-pentachlorodibenzofuran 1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
| 1,2,3,4,7,8-hexachlorodibenzofuran [no description available] | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
| 2,3,4,4'5-pentachlorobiphenyl [no description available] | 1.99 | 1 | 0 | monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene | |
| 1,3-di-(4-imidazolino-2-methoxyphenoxy)propane 1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source | 1.99 | 1 | 0 | ||
| 3,4,5,3',4'-pentachlorobiphenyl 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. | 1.99 | 1 | 0 | pentachlorobiphenyl; trichlorobenzene | |
| propamidine propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. | 1.99 | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
| norharman norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 2.39 | 2 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
| hexamidine hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. | 1.99 | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
| 2-ethylimidazole [no description available] | 2.68 | 3 | 0 | ||
| 4-(fluorosulfonyl)benzoic acid [no description available] | 1.99 | 1 | 0 | ||
| 2-phenylimidazole [no description available] | 2.68 | 3 | 0 | ||
| 2-(2-methyl-4-chlorophenylamino)-2-imidazoline 2-(2-methyl-4-chlorophenylamino)-2-imidazoline: RN given refers to parent cpd; structure in first source | 1.97 | 1 | 0 | ||
| xylonidine xylonidine: alpha adrenoreceptor stimulation by above cpd mainly inhibits the release of mediator and/or the bronchoconstriction caused by moderate activation of sensory nerves; forced molting agent; structure given in first source | 1.97 | 1 | 0 | ||
| 2-aminoimidazole 2-aminoimidazole: from catabolism of arginine | 2.68 | 3 | 0 | ||
| 4-(methylthio)benzoic acid [no description available] | 1.99 | 1 | 0 | ||
| hexyltrimethylammonium hexyltrimethylammonium: RN given refers to parent cpd | 1.99 | 1 | 0 | ||
| trimethyl(4-oxopentyl)ammonium trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl. | 1.99 | 1 | 0 | quaternary ammonium ion | |
| 17-alpha-hydroxypregnenolone 17-alpha-Hydroxypregnenolone: A 21-carbon steroid that is converted from PREGNENOLONE by STEROID 17-ALPHA-HYDROXYLASE. It is an intermediate in the delta-5 pathway of biosynthesis of GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.. 17alpha-hydroxypregnenolone : A hydroxypregnenolone carrying an alpha-hydroxy group at position 17. | 1.99 | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| 11-ketoprogesterone 11-ketoprogesterone: structure | 1.99 | 1 | 0 | corticosteroid hormone | |
| 4-mercaptobenzoate 4-mercaptobenzoate: substrate for 4-hydroxybenzoate hydroxylase | 1.99 | 1 | 0 | ||
| 2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one [no description available] | 2.39 | 2 | 0 | ||
| 2 alpha-methyl-9 alpha-fluorocortisol [no description available] | 1.99 | 1 | 0 | ||
| beta-carboline-3-carboxylic acid ethyl ester beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source | 2.39 | 2 | 0 | beta-carbolines | |
| beta-carboline-3-carboxylic acid methyl ester beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 2.39 | 2 | 0 | beta-carbolines | |
| 1,3-di(4-imidazolinophenoxyl)propane 1,3-di(4-imidazolinophenoxyl)propane: structure given in first source | 1.99 | 1 | 0 | ||
| 3-ethoxy-beta-carboline 3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties | 2.39 | 2 | 0 | ||
| tert-butyl beta-carboline-3-carboxylate tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | 2.39 | 2 | 0 | ||
| r 79882 R 79882: a non-nucleoside inhibitor of HIV-1 reverse transcriptase; structure given in first source | 1.99 | 1 | 0 | ||
| butamidine butamidine: RN refers to HCl; structure in first source | 1.99 | 1 | 0 | ||
| 1-methyl-2-nitrosoimidazole [no description available] | 7.38 | 2 | 0 | ||
| cortisone [no description available] | 1.99 | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| 19-norprogesterone 19-norprogesterone: RN given refers to cpd without isomeric designation | 1.99 | 1 | 0 | corticosteroid hormone | |
| 5 alpha-androstane-3 beta,17 beta-diol 5alpha-androstane-3beta,17beta-diol : An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone. | 1.99 | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol | Daphnia magna metabolite; human metabolite |
| cortodoxone Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.. 11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. | 1.99 | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. | 6.97 | 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 |
| 3-chlorodibenzofuran 3-chlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | ||
| r 82150 R 82150: structure given in first source; inhibits HIV-1 replication | 1.99 | 1 | 0 | ||
| r 86183 [no description available] | 1.99 | 1 | 0 | ||
| 1-(4-hydroxybenzyl)imidazole-2-thiol 1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87 | 1.99 | 1 | 0 | ||
| 3-propoxy-beta-carboline 3-propoxy-beta-carboline: structure in first source | 2.39 | 2 | 0 | ||
| harman harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 2.39 | 2 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 1-Ethyl-9H-pyrido[3,4-b]indole [no description available] | 2.39 | 2 | 0 | harmala alkaloid | |
| sk&f 102698 [no description available] | 1.99 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Infections, Trichomonas [description not available] | 0 | 1.93 | 1 | 0 |
| Trichomonas Infections Infections in birds and mammals produced by various species of Trichomonas. | 0 | 1.93 | 1 | 0 |
| Cancer of Colon [description not available] | 0 | 2.38 | 2 | 0 |
| Colonic Neoplasms Tumors or cancer of the COLON. | 0 | 2.38 | 2 | 0 |