4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 269325 |
| CHEMBL ID | 1441434 |
| SCHEMBL ID | 377227 |
| MeSH ID | M0540077 |
| Synonym |
|---|
| 4-methyl-2-quinazolinamine |
| NCGC00014114 |
| nsc-110275 |
| nsc110275 , |
| 6141-02-2 |
| OPREA1_804244 |
| NCI110275 |
| NCI60_000243 |
| NCISTRUC1_000219 |
| NCISTRUC2_000138 |
| NCGC00097223-01 |
| STK023736 |
| 4-methylquinazolin-2-amine |
| CCG-37993 |
| NCGC00014114-02 |
| AKOS005379039 |
| 2-amino-4-methylquinazoline |
| RWDYNDCLJPWKJU-UHFFFAOYSA-N |
| mfcd03164950 |
| SCHEMBL377227 |
| CHEMBL1441434 , |
| DTXSID10296593 |
| EN300-7816608 |
| FT-0766157 |
| methyl-[amino]quinazoline |
| bdbm50241663 |
| Z57166964 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "Cell membrane permeability is an important determinant for oral absorption and bioavailability of a drug molecule." | ( Highly predictive and interpretable models for PAMPA permeability. Jadhav, A; Kerns, E; Nguyen, K; Shah, P; Sun, H; Xu, X; Yan, Z; Yu, KR, 2017) | 0.46 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, HADH2 protein | Homo sapiens (human) | Potency | 3.1623 | 0.0251 | 20.2376 | 39.8107 | AID893 |
| Chain B, HADH2 protein | Homo sapiens (human) | Potency | 3.1623 | 0.0251 | 20.2376 | 39.8107 | AID893 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 6.3096 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 3.5481 | 0.0018 | 15.6638 | 39.8107 | AID894 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) | IC50 (µMol) | 5.6000 | 0.0520 | 1.2093 | 5.6000 | AID1452124 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| purine nucleoside catabolic process | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| DNA repair | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| response to oxidative stress | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| male gonad development | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| DNA protection | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| response to cadmium ion | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| acrosomal vesicle | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| extracellular space | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| nucleus | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| cytoplasm | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| mitochondrion | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| mitochondrial matrix | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| cytosol | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| nuclear membrane | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| cytoplasm | 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1224817 | Assays to identify small molecules inhibitory for eIF4E expression | 2015 | Chemistry & biology, Jul-23, Volume: 22, Issue:7 | Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds. |
| AID1452124 | Inhibition of human recombinant His-tagged MTH1 expressed in Escherichia coli BL21 using dGTP as substrate after 15 mins by malachite green reagent-based assay | 2017 | Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. |
| AID1917342 | Induction of read through activity at T-p53 R213X mutant premature termination codon in human HDQ-P1 cells assessed as increase in production of full length p53 protein by MSD assay | 2022 | Bioorganic & medicinal chemistry letters, 11-15, Volume: 76 | Guanidino quinazolines and pyrimidines promote readthrough of premature termination codons in cells with native nonsense mutations. |
| AID1452123 | Inhibition of human recombinant His-tagged MTH1 expressed in Escherichia coli BL21 at 125 uM using dGTP as substrate after 1 hr by malachite green reagent-based assay relative to control | 2017 | Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. |
| AID1508612 | NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling | 2017 | Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3 | Highly predictive and interpretable models for PAMPA permeability. |
| AID1508591 | NCATS Rat Liver Microsome Stability Profiling | 2020 | Scientific reports, 11-26, Volume: 10, Issue:1 | Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models. |
| AID1645848 | NCATS Kinetic Aqueous Solubility Profiling | 2019 | Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14 | Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (14.29) | 29.6817 |
| 2010's | 4 (57.14) | 24.3611 |
| 2020's | 2 (28.57) | 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 (13.16) 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 | 7 (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 |
|---|---|---|---|---|---|
| 2-(3-pyridine)acetic acid 3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. | 2.11 | 1 | 0 | monocarboxylic acid; pyridines | human xenobiotic metabolite |
| ureidosuccinic acid ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. | 2.11 | 1 | 0 | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
| arabinofuranosylcytosine triphosphate [no description available] | 2.11 | 1 | 0 | pyrimidine ribonucleoside monophosphate | |
| aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. | 2.11 | 1 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
| gamma-guanidinobutyric acid gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid. | 2.11 | 1 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 2.11 | 1 | 0 | cyclitol; hexol | |
| pentachlorophenol PENTA: structure given in first source | 2.11 | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
| phenylalanine [no description available] | 2.11 | 1 | 0 | alpha-amino acid; aromatic amino acid | Daphnia magna metabolite |
| b 844-39 [no description available] | 2.15 | 1 | 0 | diarylmethane | |
| pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine | 2.89 | 3 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
| nsc-267703 [no description available] | 2.11 | 1 | 0 | anthracycline | |
| jtv519 [no description available] | 2.89 | 3 | 0 | ||
| n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | 2.11 | 1 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
| tyrphostin ag957 tyrphostin AG957: tyrosine kinase blocker; structure given in first source | 2.11 | 1 | 0 | aromatic amine | |
| alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. | 2.89 | 3 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
| dan 2163 [no description available] | 2.89 | 3 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
| amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. | 2.89 | 3 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
| 2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version | 2.11 | 1 | 0 | ||
| aristolochic acid i aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. | 2.11 | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
| astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. | 2.89 | 3 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
| benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. | 3.08 | 4 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
| benzylhydrochlorothiazide [no description available] | 2.11 | 1 | 0 | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | |
| bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide | 2.89 | 3 | 0 | ||
| bufexamac Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. | 2.89 | 3 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| cadralazine cadralazine: structure given in first source | 2.89 | 3 | 0 | organic molecular entity | |
| carvedilol [no description available] | 2.63 | 2 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
| cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. | 2.63 | 2 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
| chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness | 2.89 | 3 | 0 | diarylmethane | |
| ci 994 tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. | 2.89 | 3 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
| eucalyptol [no description available] | 2.11 | 1 | 0 | ||
| amberlite cg 400 [no description available] | 2.11 | 1 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
| cyclosporine cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. | 2.59 | 2 | 0 | ||
| stallimycin [no description available] | 2.11 | 1 | 0 | ||
| domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. | 2.11 | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
| ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | 2.11 | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
| fenbendazole Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. | 2.89 | 3 | 0 | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
| berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. | 2.15 | 1 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
| glyphosate glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). | 2.11 | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
| go 6976 [no description available] | 2.89 | 3 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
| haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 3.08 | 4 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. | 2.11 | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
| homochlorocyclizine homochlorocyclizine: RN given refers to parent cpd | 2.89 | 3 | 0 | diarylmethane | |
| hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. | 2.89 | 3 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
| hypericin [no description available] | 2.11 | 1 | 0 | ||
| batyl alcohol batyl alcohol: RN given refers to cpd without isomeric designation. batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent. | 2.11 | 1 | 0 | alkylglycerol | |
| ifenprodil ifenprodil: NMDA receptor antagonist | 2.89 | 3 | 0 | piperidines | |
| imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. | 2.11 | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone ZM39923: structure in first source | 2.89 | 3 | 0 | naphthalenes | |
| nsc 664704 kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). | 2.11 | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
| ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. | 2.89 | 3 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. | 2.11 | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
| ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. | 2.89 | 3 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| khellin Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. | 2.11 | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
| 2-amino-3-phosphonopropionic acid 2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. | 2.11 | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
| benzylsuccinic acid benzylsuccinic acid: inhibitor of carboxypeptidase A. 2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. | 2.11 | 1 | 0 | dicarboxylic acid | bacterial xenobiotic metabolite |
| beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | 2.11 | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. | 2.89 | 3 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
| mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage. | 2.89 | 3 | 0 | aromatic ether; glycerol ether | |
| mesoridazine Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group. | 2.11 | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
| methoxsalen Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. | 2.11 | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
| niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. | 2.89 | 3 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
| oxaprozin Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. | 2.11 | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
| oxibendazole oxibendazole: structure | 2.89 | 3 | 0 | benzimidazoles; carbamate ester | |
| 4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine 4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source | 2.89 | 3 | 0 | ||
| penicillamine [no description available] | 2.11 | 1 | 0 | non-proteinogenic alpha-amino acid; thiol | |
| pentoxifylline [no description available] | 2.11 | 1 | 0 | oxopurine | |
| perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. | 2.89 | 3 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
| phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney. | 2.11 | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
| Picrotin, analytical standard [no description available] | 2.11 | 1 | 0 | furopyran | |
| pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source | 2.89 | 3 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
| pomiferin pomiferin: structure in first source | 2.11 | 1 | 0 | isoflavanones | |
| ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | 2.89 | 3 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| pridinol pridinol: antispasmodic & muscle relaxant; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7539. pridinol : A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group. | 2.11 | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available] | 2.59 | 2 | 0 | indoles | |
| ro 31-8220 Ro 31-8220: a protein kinase C inhibitor | 2.89 | 3 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| ropinirole [no description available] | 2.89 | 3 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
| vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). | 2.89 | 3 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulfaquinoxaline Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis. | 2.11 | 1 | 0 | benzenes; sulfonamide | |
| suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. | 2.11 | 1 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
| 4-methylglutamic acid 4-methylglutamic acid : A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4. | 2.11 | 1 | 0 | amino dicarboxylic acid; glutamic acid derivative | |
| 2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available] | 2.59 | 2 | 0 | stilbenoid | |
| trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | 2.15 | 1 | 0 | aromatic ketone | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | 2.89 | 3 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| zotepine zotepine: structure | 2.89 | 3 | 0 | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
| pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth. | 2.11 | 1 | 0 | hydrochloride | |
| veratramine veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions. | 2.11 | 1 | 0 | piperidine alkaloid | |
| colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 2.89 | 3 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74) | 2.89 | 3 | 0 | aromatic ketone | |
| gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | 2.11 | 1 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
| cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. | 2.21 | 1 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
| santowhite powder 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source | 2.11 | 1 | 0 | ||
| fentichlor fentichlor: structure. fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | 2.11 | 1 | 0 | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
| pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration. | 2.11 | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
| trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. | 2.89 | 3 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. | 2.89 | 3 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
| hexadecanolide hexadecanolide: structure in first source | 2.11 | 1 | 0 | macrolide | |
| pamoic acid pamoic acid: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | dicarboxylic acid | |
| carzenide [no description available] | 2.11 | 1 | 0 | sulfonamide | |
| 4-tert-octylphenol 4-tert-octylphenol: structure given in first source | 2.89 | 3 | 0 | alkylbenzene | |
| quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. | 2.05 | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
| ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. | 2.89 | 3 | 0 | methoxybenzenes; phenols | |
| estradiol 17 beta-cypionate [no description available] | 2.11 | 1 | 0 | steroid ester | |
| methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches. | 2.89 | 3 | 0 | ergoline alkaloid | |
| lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. | 2.11 | 1 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
| jervine jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure | 2.11 | 1 | 0 | piperidines | |
| emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | 2.89 | 3 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
| bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. | 2.11 | 1 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
| salicylurate salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.11 | 1 | 0 | N-acylglycine; secondary carboxamide | human xenobiotic metabolite; uremic toxin |
| 3,5-pyridinedicarboxylic acid 3,5-pyridinedicarboxylic acid: structure in first source | 2.11 | 1 | 0 | pyridinedicarboxylic acid | |
| podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | 2.89 | 3 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
| ricinine [no description available] | 2.11 | 1 | 0 | nitrile; pyridine alkaloid; pyridone | |
| carinamide [no description available] | 2.11 | 1 | 0 | ||
| 3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges | 2.11 | 1 | 0 | monocarboxylic acid | |
| hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. | 2.11 | 1 | 0 | ||
| 1H-indazol-3-amine 1H-indazol-3-amine: structure in first source | 2.11 | 1 | 0 | indazoles | |
| etonitazene etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals | 2.89 | 3 | 0 | ||
| 1,1'-methylenedi-2-naphthol 1,1'-methylenedi-2-naphthol: piscicide | 2.11 | 1 | 0 | ||
| tricarballylic acid tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group. | 2.11 | 1 | 0 | tricarboxylic acid | |
| popop [no description available] | 2.11 | 1 | 0 | 1,3-oxazoles | fluorochrome |
| 2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. | 2.11 | 1 | 0 | hydroquinones | food antioxidant |
| clothiapine clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine | 2.89 | 3 | 0 | dibenzothiazepine | |
| benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | 2.89 | 3 | 0 | aromatic ketone | |
| 7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd | 3.08 | 4 | 0 | phenothiazines | |
| cme-carbodiimide [no description available] | 2.11 | 1 | 0 | ||
| cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID. | 2.11 | 1 | 0 | penicillin | antibacterial drug |
| strombine N-methyliminodiacetic acid: structure in first source | 2.11 | 1 | 0 | ||
| camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.89 | 3 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
| thenalidine thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure | 2.89 | 3 | 0 | dialkylarylamine; tertiary amino compound | |
| bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion. | 2.89 | 3 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
| thymolphthalein Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust. | 2.11 | 1 | 0 | terpene lactone | |
| 1,4,5,8-naphthalenetetracarboxylic acid 1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source | 2.11 | 1 | 0 | ||
| (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione [no description available] | 2.11 | 1 | 0 | anthracycline | |
| dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer | 2.89 | 3 | 0 | chlorphenamine | |
| dv 1006 [no description available] | 2.89 | 3 | 0 | ||
| hydroxyphenylazouracil Hydroxyphenylazouracil: Inhibitor of DNA replication in gram-positive bacteria. | 2.11 | 1 | 0 | ||
| canadine canadine: RN given refers to cpd without isomeric designation; structure. canadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. | 2.11 | 1 | 0 | aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle | |
| climbazole 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3. | 2.89 | 3 | 0 | aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes | |
| triadimenol triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. | 2.89 | 3 | 0 | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
| amonafide xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor | 2.89 | 3 | 0 | isoquinolines | |
| pimonidazole pimonidazole: structure given in first source | 2.11 | 1 | 0 | ||
| flupirtine flupirtine: RN given refers to parent cpd without isomeric designation | 2.89 | 3 | 0 | aminopyridine | |
| chaetochromin chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | 2.89 | 3 | 0 | ||
| enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE. | 2.89 | 3 | 0 | aromatic ketone | |
| flavone acetic acid flavone acetic acid: structure given in first source | 2.11 | 1 | 0 | ||
| aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. | 2.89 | 3 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
| trichlorophene trichlorophene: contains 20 carbon atoms; do not confuse with trichlorophene as name for trichloro derivs of 2,2'-methylenebisphenol (contain 13 carbon atoms) | 2.11 | 1 | 0 | ||
| verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | 2.11 | 1 | 0 | ||
| 4-aminomethylbenzoic acid [no description available] | 2.11 | 1 | 0 | benzoic acids | |
| cedrol cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | 2.11 | 1 | 0 | cedrane sesquiterpenoid; tertiary alcohol | |
| aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. | 2.21 | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
| propazole propazole: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | benzimidazoles | |
| reserpic acid reserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first source | 2.11 | 1 | 0 | yohimban alkaloid | |
| pifexole pifexole: structure | 2.11 | 1 | 0 | ||
| indocate [no description available] | 2.89 | 3 | 0 | ||
| Diphenolic acid diphenolic acid: an estrogenic ligand | 2.11 | 1 | 0 | bisphenol | |
| N(4)-acetylsulfathiazole N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. | 2.89 | 3 | 0 | 1,3-thiazoles; acetamides; sulfonamide | marine xenobiotic metabolite |
| cyclizine hydrochloride [no description available] | 2.59 | 2 | 0 | ||
| Melicopidine [no description available] | 2.11 | 1 | 0 | acridines | |
| 2,3-trimethylene-4-quinazolone 2,3-trimethylene-4-quinazolone: structure in first source | 2.89 | 3 | 0 | quinazolines | |
| resorufin [no description available] | 2.11 | 1 | 0 | phenoxazine | |
| 1,3-dimethyluric acid 1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. | 2.89 | 3 | 0 | oxopurine | metabolite |
| vinburnine [no description available] | 2.11 | 1 | 0 | alkaloid | |
| danofloxacin [no description available] | 2.89 | 3 | 0 | quinolines | |
| nitrefazole [no description available] | 2.89 | 3 | 0 | imidazoles | |
| methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively. | 2.89 | 3 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
| honokiol [no description available] | 2.89 | 3 | 0 | biphenyls | |
| 9-methoxyellipticine 9-methoxyellipticine: RN given refers to parent cpd | 2.89 | 3 | 0 | ||
| pacein PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells. | 2.11 | 1 | 0 | ||
| alantolactone alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. | 2.11 | 1 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
| 3-aminophenoxazone 3-aminophenoxazone: also inhibits sulfatase; structure | 2.89 | 3 | 0 | phenoxazine | |
| 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide: structure | 2.11 | 1 | 0 | ||
| tetrandrine tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity | 2.11 | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
| 3-deazaneplanocin 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist | 2.89 | 3 | 0 | ||
| tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai | 2.89 | 3 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
| stictic acid stictic acid: antioxidant from lichen, Usnea articulata; structure in first source | 2.11 | 1 | 0 | aromatic ether | |
| gallocyanine gallocyanine: structure; gallocyanine-chrome alum is used as a nuclear stain to quantitate nucleic acids. gallocyanin : An organic chloride salt composed of 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain. | 2.11 | 1 | 0 | ||
| 2-chlorodiazepam [no description available] | 2.89 | 3 | 0 | ||
| Polycartine B [no description available] | 2.89 | 3 | 0 | phenazines | |
| propylsulfonic acid propylsulfonic acid: RN given refers to cpd without locant for propyl moiety | 2.11 | 1 | 0 | ||
| aminoquinuride dihydrochloride [no description available] | 2.89 | 3 | 0 | ||
| 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide : A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents. | 2.11 | 1 | 0 | carbodiimide; morpholines | cross-linking reagent |
| 6,6'-dithiodinicotinic acid 6,6'-dithiodinicotinic acid: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | ||
| va 061 VA 061: a water-soluble radical initiator; structure in first source | 2.11 | 1 | 0 | ||
| n-acetyltyrosine, (dl)-isomer N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. | 2.11 | 1 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
| cinchonine [no description available] | 2.11 | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
| thioproperazine mesylate [no description available] | 2.89 | 3 | 0 | phenothiazines | |
| n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. | 3.08 | 4 | 0 | 6-isopentenylaminopurine | cytokinin |
| 2-Phthalimidoglutaricacid [no description available] | 2.11 | 1 | 0 | glutamic acid derivative | |
| nsc-87877 NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source | 2.11 | 1 | 0 | ||
| methyl lithocholate methyl lithocholate: RN given refers to (3alpha,5beta)-isomer | 2.11 | 1 | 0 | ||
| nipecotic acid amide nipecotic acid amide: RN & N1 form 9th CI Form Index; RN given refers to cpd without isomeric designation. nipecotamide : The amide resulting from the formal condensation of nipecotic acid with ammonia. | 2.11 | 1 | 0 | piperidinecarboxamide | |
| dimethacrine dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation | 2.11 | 1 | 0 | acridines | |
| dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. | 2.11 | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
| 4-deoxypyridoxine 5'-phosphate [no description available] | 2.11 | 1 | 0 | ||
| 4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available] | 2.89 | 3 | 0 | sulfonamide | |
| 4-(phenylthio)butanoic acid 4-(phenylthio)butanoic acid: structure in first source | 2.11 | 1 | 0 | ||
| bis-a-tda bis-A-TDA: structure given in first source | 2.11 | 1 | 0 | ||
| 1-amino-2-phenylethylphosphonic acid 1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source | 2.11 | 1 | 0 | ||
| 4-fluoro-alpha-hydroxybenzeneacetic acid 4-fluoro-alpha-hydroxybenzeneacetic acid: an aprepitant urinary metabolite; structure in first source | 2.11 | 1 | 0 | ||
| Isopteropodin [no description available] | 2.11 | 1 | 0 | indolizines | |
| benzpiperylone benzpiperylone: spelled benzopiperylone in title | 2.11 | 1 | 0 | pyrazoles; ring assembly | |
| zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | 2.63 | 2 | 0 | ||
| sr141716 [no description available] | 2.89 | 3 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
| (6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide [no description available] | 2.59 | 2 | 0 | aromatic ketone | |
| fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. | 2.89 | 3 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
| tesmilifene [no description available] | 2.89 | 3 | 0 | diarylmethane | |
| carboxyamido-triazole carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201 | 2.11 | 1 | 0 | ||
| sr 27897 SR 27897: structure given in first source; a CCK(A) receptor antagonist | 2.89 | 3 | 0 | indolyl carboxylic acid | |
| nsc 607097 [no description available] | 2.11 | 1 | 0 | ||
| pacifenol pacifenol: isolated from sea weeds and marine alga Laurencia claviformis; RN refers to (2R,5R,5aR,7S,8S,9aS)-isomer; structure in first source | 2.11 | 1 | 0 | ||
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer) | 2.89 | 3 | 0 | leucine derivative | |
| norketamine norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation | 2.89 | 3 | 0 | organochlorine compound | |
| indatraline indatraline: RN given for (trans)-isomer; structure in first source | 2.63 | 2 | 0 | indanes | |
| methotrexate [no description available] | 2.89 | 3 | 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 |
| salvinorin a salvinorin A: from the herb, Salvia divinorum | 2.21 | 1 | 0 | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
| 4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide 4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol | 2.89 | 3 | 0 | ||
| n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis | 2.89 | 3 | 0 | phenylindole | |
| l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source | 2.89 | 3 | 0 | piperidines | |
| n-phenyliminodiacetic acid [no description available] | 2.11 | 1 | 0 | ||
| dx 8951 [no description available] | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
| tipifarnib [no description available] | 2.89 | 3 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 3.08 | 4 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| avasimibe [no description available] | 2.89 | 3 | 0 | monoterpenoid | |
| cystamine hydrochloride [no description available] | 2.11 | 1 | 0 | ||
| dipiperidinoethane-di-n-oxide dipiperidinoethane-di-N-oxide: oxidized neurotoxic dipiperidinoethane deriv; structure given in first source | 2.11 | 1 | 0 | ||
| l 163191 [no description available] | 2.89 | 3 | 0 | ||
| dizocilpine [no description available] | 2.89 | 3 | 0 | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
| s-benzylcysteine [no description available] | 2.89 | 3 | 0 | S-aryl-L-cysteine zwitterion | |
| chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer) | 2.89 | 3 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
| lapatinib [no description available] | 2.89 | 3 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
| roxindole [no description available] | 2.89 | 3 | 0 | indoles | alpha-adrenergic antagonist; serotonergic drug |
| benzyl-beta-d-xyloside benzyl-beta-D-xyloside: RN given refers to (beta-D)-isomer | 2.11 | 1 | 0 | ||
| 2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid [no description available] | 2.11 | 1 | 0 | dicarboxylic acid | |
| conidendrin [no description available] | 2.89 | 3 | 0 | ||
| 2,4-dinitrophenylacetic acid 2,4-dinitrophenylacetic acid: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| sitosterol, (3beta)-isomer Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. | 2.11 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
| (5-Phenyl-1,2,4-triazol-3-yl)urea [no description available] | 2.11 | 1 | 0 | benzenes | |
| fumagillol fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties. | 2.11 | 1 | 0 | secondary alcohol; sesquiterpenoid; spiro-epoxide | antimicrobial agent |
| vacquinol-1 [no description available] | 2.11 | 1 | 0 | ||
| aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. | 2.11 | 1 | 0 | indole alkaloid | |
| guaiol guaiol: structure in first source | 2.11 | 1 | 0 | guaiane sesquiterpenoid | |
| benzatropine methanesulfonate [no description available] | 2.11 | 1 | 0 | ||
| Porfiromycine [no description available] | 2.89 | 3 | 0 | mitomycin | |
| pseudoyohimbine [no description available] | 2.11 | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| gant58 GANT58: inhibits hedgehog signalling; structure in first source | 2.11 | 1 | 0 | pyridines | |
| nsc 88915 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source | 2.11 | 1 | 0 | ||
| nsc 95397 [no description available] | 2.89 | 3 | 0 | 1,4-naphthoquinones | |
| o-acetylsolasodine [no description available] | 2.11 | 1 | 0 | ||
| viroallosecurinine [no description available] | 2.11 | 1 | 0 | indolizines | |
| 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source | 2.11 | 1 | 0 | ||
| adamantoylcytarabine adamantoylcytarabine: RN given refers to parent cpd; structure in Negwer, 5th ed, #4393 | 2.11 | 1 | 0 | ||
| 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester [no description available] | 2.11 | 1 | 0 | naphthalenes | |
| noscapine Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. | 2.11 | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
| LSM-1290 [no description available] | 2.11 | 1 | 0 | benzazepine alkaloid; cyclic acetal | |
| 2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available] | 3.08 | 4 | 0 | ||
| nsc 154020 [no description available] | 2.11 | 1 | 0 | N-glycosyl compound | |
| 4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid [no description available] | 2.11 | 1 | 0 | 2-hydroxyisophthalic acid | |
| 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source | 2.11 | 1 | 0 | cyclic ketone; quinuclidines | |
| 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine [no description available] | 2.11 | 1 | 0 | benzodioxoles | |
| croton factor f1 croton factor F1: induces ornithine decarboxylase activity; structure given in first source. 16-hydroxyphorbol 13-decanoate 12-palmitate : A phorbol ester that consists of 16-hydroxyphorbol bearing O-hexadecanoyl (palmitoyl) and O-decanoyl substituents at position 12 and 13 respectively. | 2.11 | 1 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | |
| medicarpin (-)-medicarpin : The (-)-enantiomer of medicarpin. | 2.11 | 1 | 0 | medicarpin | plant metabolite |
| 2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source | 2.41 | 1 | 0 | ||
| gitoxigenin gitoxigenin: structure | 2.11 | 1 | 0 | 14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid | |
| niguldipine hydrochloride [no description available] | 2.63 | 2 | 0 | ||
| aromoline aromoline: from roots of Stephania cepharantha; structure given in first source | 2.11 | 1 | 0 | ||
| 2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available] | 2.89 | 3 | 0 | thiophenes | |
| nsc668394 [no description available] | 2.11 | 1 | 0 | ||
| ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. | 2.89 | 3 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
| bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | 2.21 | 1 | 0 | cyclohexenones | |
| gant 61 GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. | 2.11 | 1 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
| Destruxin B [no description available] | 2.89 | 3 | 0 | cyclodepsipeptide | |
| tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. | 2.89 | 3 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
| nortriptyline hydrochloride [no description available] | 2.11 | 1 | 0 | organic tricyclic compound | geroprotector |
| trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | 2.21 | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
| sitafloxacin [no description available] | 2.21 | 1 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
| 2'-c-methylcytidine 2'-C-methylcytidine: structure in first source | 2.89 | 3 | 0 | ||
| nsc 45641 [no description available] | 2.11 | 1 | 0 | ||
| jp-1302 [no description available] | 2.89 | 3 | 0 | ||
| 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one [no description available] | 2.89 | 3 | 0 | benzodiazepine | |
| tenatoprazole Tenatoprazole: structure in first source | 2.89 | 3 | 0 | imidazopyridine | |
| geraniol [no description available] | 2.11 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
| aconitic acid cis-aconitic acid : The cis-isomer of aconitic acid. | 2.11 | 1 | 0 | aconitic acid | fundamental metabolite |
| s 1033 [no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| 5-[(2-fluoroanilino)methyl]-8-quinolinol [no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
| amygdalin [no description available] | 2.11 | 1 | 0 | ||
| benidipine hydrochloride [no description available] | 2.59 | 2 | 0 | ||
| benidipine benidipine: RN refers to (R*,R*)-(+-)-isomer | 2.21 | 1 | 0 | ||
| 2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one [no description available] | 2.89 | 3 | 0 | quinazolines | |
| chlorprothixene (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration. | 2.89 | 3 | 0 | chlorprothixene | |
| jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor | 2.89 | 3 | 0 | ||
| alpha-phenylcinnamate alpha-phenylcinnamate: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester [no description available] | 2.89 | 3 | 0 | methoxybenzenes; substituted aniline | |
| 3-hydroxypyridine, sodium salt [no description available] | 2.89 | 3 | 0 | ||
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available] | 2.89 | 3 | 0 | naphthalenecarboxamide | |
| 5-[(2-bromoanilino)methyl]-8-quinolinol [no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
| 3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide 3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source | 2.89 | 3 | 0 | ||
| N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline [no description available] | 2.89 | 3 | 0 | aromatic amine | |
| curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 2.11 | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| 1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide [no description available] | 2.89 | 3 | 0 | piperidinecarboxamide | |
| 5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol [no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
| N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide [no description available] | 2.89 | 3 | 0 | acetamides; anilide | |
| 5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide [no description available] | 2.89 | 3 | 0 | aromatic amide; thiophenes | |
| 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone [no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide [no description available] | 2.89 | 3 | 0 | aromatic amide | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide [no description available] | 2.89 | 3 | 0 | aromatic ether | |
| 3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione [no description available] | 2.89 | 3 | 0 | maleimides | |
| Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | 2.89 | 3 | 0 | aromatic ether; polyether; quinazolines; secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one [no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
| 2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide [no description available] | 2.89 | 3 | 0 | quinolines | |
| 3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available] | 2.89 | 3 | 0 | pyrroles | |
| ethyldimethylaminopropyl carbodiimide 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride: structure in first source | 2.11 | 1 | 0 | ||
| tamoxifen citrate [no description available] | 2.11 | 1 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
| bi-78d3 [no description available] | 2.89 | 3 | 0 | aryl sulfide | |
| kartogenin kartogenin: promotes chondrocyte differentiation; structure in first source | 2.89 | 3 | 0 | ||
| eskazine [no description available] | 2.11 | 1 | 0 | ||
| nsc 336628 [no description available] | 2.11 | 1 | 0 | ||
| toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. | 2.21 | 1 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| 1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one [no description available] | 2.11 | 1 | 0 | oxopurine | |
| vx-745 [no description available] | 2.89 | 3 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). | 2.89 | 3 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| zd 6474 CH 331: structure in first source | 2.89 | 3 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
| N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide [no description available] | 2.63 | 2 | 0 | indoles | |
| nih-12848 NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source | 2.89 | 3 | 0 | ||
| 2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide [no description available] | 2.89 | 3 | 0 | quinazolines | |
| [1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone [no description available] | 2.89 | 3 | 0 | benzimidazoles | |
| 2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile [no description available] | 2.89 | 3 | 0 | imidazopyridine | |
| cambinol cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source | 2.11 | 1 | 0 | ||
| nsc 117199 [no description available] | 2.11 | 1 | 0 | ||
| 3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [no description available] | 2.89 | 3 | 0 | aromatic ketone | |
| 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available] | 2.89 | 3 | 0 | oxopurine | |
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester [no description available] | 2.89 | 3 | 0 | organonitrogen compound; organosulfur compound | |
| 6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide [no description available] | 2.89 | 3 | 0 | quinolines | |
| LSM-1924 [no description available] | 2.89 | 3 | 0 | organic heterotricyclic compound; organooxygen compound | |
| ferrostatin-1 ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. | 2.89 | 3 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
| 6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine [no description available] | 2.89 | 3 | 0 | C-nitro compound | |
| rabeprazole(1-) [no description available] | 2.63 | 2 | 0 | organic nitrogen anion | |
| ncgc00099374 [no description available] | 2.89 | 3 | 0 | ||
| 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide [no description available] | 2.89 | 3 | 0 | benzamides | |
| luteolin [no description available] | 2.89 | 3 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
| cyclosporine [no description available] | 2.21 | 1 | 0 | ||
| kaempferol [no description available] | 2.89 | 3 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
| genistein [no description available] | 2.89 | 3 | 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 |
| mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | 2.89 | 3 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
| bruceantin [no description available] | 2.89 | 3 | 0 | triterpenoid | |
| chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.89 | 3 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
| mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. | 2.11 | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
| coumestrol Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. | 2.11 | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
| daidzein [no description available] | 2.89 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
| rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. | 2.11 | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
| ellagic acid [no description available] | 2.11 | 1 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
| neticonazole neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections. | 2.89 | 3 | 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 |
| N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. | 2.89 | 3 | 0 | endocannabinoid; N-acylethanolamine 22:6 | |
| n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide. | 2.89 | 3 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
| alpha-zearalenol [no description available] | 2.89 | 3 | 0 | macrolide | |
| su 9516 [no description available] | 2.89 | 3 | 0 | ||
| N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available] | 2.89 | 3 | 0 | triazolopyrimidines | |
| sb 277011 SB 277011: structure in first source | 2.89 | 3 | 0 | ||
| sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source | 2.89 | 3 | 0 | ||
| sr 59230a [no description available] | 2.89 | 3 | 0 | tetralins | |
| 3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available] | 2.89 | 3 | 0 | pyrimidines | |
| kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II | 2.89 | 3 | 0 | piperazines | |
| MeJA [no description available] | 2.89 | 3 | 0 | Jasmonate derivatives | |
| 7,8-dimethylalloxazine 7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. | 2.11 | 1 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
| 1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source | 2.89 | 3 | 0 | ||
| pd 161570 PD 161570: structure in first source | 2.89 | 3 | 0 | ||
| su 11248 [no description available] | 2.15 | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
| palbociclib [no description available] | 2.89 | 3 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| jnj-7706621 [no description available] | 2.89 | 3 | 0 | sulfonamide | |
| dihydrothobainone [no description available] | 2.11 | 1 | 0 | ||
| piperic acid piperinic acid: from Piper longum; structure in first source. (E,E)-piperic acid : A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). | 2.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
| abscisic acid 2-trans-abscisic acid : An abscisic acid in which the two acyclic double bonds both have trans-geometry. | 2.11 | 1 | 0 | abscisic acids | |
| radicinin radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure | 2.11 | 1 | 0 | aromatic ketone | |
| 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid [no description available] | 2.11 | 1 | 0 | imidazopyrazine | |
| virginiamycin factor s1 virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. | 2.89 | 3 | 0 | cyclodepsipeptide; macrolide antibiotic | antibacterial drug; bacterial metabolite |
| hispanolone hispanolone: structure in first source | 2.11 | 1 | 0 | ||
| fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction. | 2.63 | 2 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
| xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source | 2.89 | 3 | 0 | ||
| gw-5074 [no description available] | 2.21 | 1 | 0 | ||
| belotecan belotecan: structure in first source | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
| norgestimate [no description available] | 2.89 | 3 | 0 | ketoxime; steroid ester; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
| b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | 2.89 | 3 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| 4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine [no description available] | 2.89 | 3 | 0 | ||
| methiazole methiazole: a parasitostatic agent | 2.89 | 3 | 0 | benzimidazoles; carbamate ester | |
| sb 218795 SB 218795: structure in first source | 2.89 | 3 | 0 | quinolines | |
| bvt.948 [no description available] | 2.89 | 3 | 0 | ||
| fk 866 N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source | 2.21 | 1 | 0 | benzamides; N-acylpiperidine | |
| a 38503 [no description available] | 2.89 | 3 | 0 | ||
| parthenolide [no description available] | 2.58 | 2 | 0 | sesquiterpene lactone | drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| krn 633 N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source | 2.89 | 3 | 0 | ||
| 5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid [no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. | 2.89 | 3 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
| dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. | 2.89 | 3 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
| spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source | 2.89 | 3 | 0 | ||
| midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | 2.89 | 3 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| valnemulin [no description available] | 2.63 | 2 | 0 | ||
| nu 7026 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source | 2.89 | 3 | 0 | organic heterotricyclic compound; organooxygen compound | |
| osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | 2.89 | 3 | 0 | aromatic amide | |
| ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome. | 2.89 | 3 | 0 | aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines | P2Y12 receptor antagonist; platelet aggregation inhibitor |
| l 692585 [no description available] | 2.89 | 3 | 0 | peptide | |
| pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | 2.89 | 3 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| nnc 26-9100 NNC 26-9100: structure in first source | 2.89 | 3 | 0 | aminopyridine | |
| 2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine [no description available] | 2.89 | 3 | 0 | ||
| tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | 2.89 | 3 | 0 | aromatic ether | |
| hki 272 [no description available] | 2.21 | 1 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available] | 2.89 | 3 | 0 | ||
| tae226 TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source | 2.89 | 3 | 0 | morpholines | |
| gw0742 GW 610742: structure in first source | 2.89 | 3 | 0 | monocarboxylic acid | |
| u 18666a 3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. | 2.89 | 3 | 0 | hydrochloride | antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor |
| sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor | 2.89 | 3 | 0 | quinoxaline derivative | |
| bx795 BX795: structure in first source | 2.89 | 3 | 0 | ureas | |
| azd 6244 AZD 6244: a MEK inhibitor | 2.89 | 3 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source | 2.89 | 3 | 0 | ||
| bay 61-3606 [no description available] | 2.89 | 3 | 0 | pyrimidines | |
| sd-208 [no description available] | 2.89 | 3 | 0 | ||
| crenolanib [no description available] | 2.89 | 3 | 0 | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| cj 033466 CJ 033466: structure in first source | 2.89 | 3 | 0 | ||
| cc 401 CC 401: an anthrapyrazolone | 2.89 | 3 | 0 | pyrazoles; ring assembly | |
| PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | 2.89 | 3 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
| arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine. | 2.89 | 3 | 0 | ||
| cariprazine cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. | 2.89 | 3 | 0 | ||
| krp-203 [no description available] | 2.89 | 3 | 0 | ||
| regorafenib [no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
| at 7867 [no description available] | 2.89 | 3 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available] | 2.89 | 3 | 0 | pyrroloquinoline | |
| ptc 124 [no description available] | 2.89 | 3 | 0 | oxadiazole; ring assembly | |
| degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source | 2.63 | 2 | 0 | ||
| bi 2536 [no description available] | 2.89 | 3 | 0 | ||
| azd 1152 AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | 2.89 | 3 | 0 | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
| carfilzomib [no description available] | 2.89 | 3 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
| veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal. | 2.11 | 1 | 0 | ||
| idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. | 2.89 | 3 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| motesanib [no description available] | 2.89 | 3 | 0 | pyridinecarboxamide | |
| pf-562,271 [no description available] | 2.89 | 3 | 0 | indoles | |
| gliocladin c gliocladin C: structure in first source | 2.89 | 3 | 0 | ||
| sb 706504 [no description available] | 2.89 | 3 | 0 | ||
| ku-0060648 [no description available] | 2.89 | 3 | 0 | dibenzothiophenes | |
| bgt226 BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. | 2.89 | 3 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| n-desmethyldanofloxacin N-desmethyldanofloxacin: structure given in first source | 2.89 | 3 | 0 | ||
| rabeprazole sodium [no description available] | 2.15 | 1 | 0 | organic sodium salt | |
| azd 1152-hqpa AZD2811: has antineoplastic activity; structure in first source | 2.63 | 2 | 0 | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
| CDN1163 CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). | 2.89 | 3 | 0 | aromatic ether; quinolines; secondary carboxamide | SERCA activator |
| gsk 269962a [no description available] | 2.89 | 3 | 0 | ||
| pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | 2.89 | 3 | 0 | ||
| nvp-bhg712 [no description available] | 2.89 | 3 | 0 | benzamides | |
| pf 04217903 [no description available] | 2.89 | 3 | 0 | quinolines | |
| 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one [no description available] | 2.89 | 3 | 0 | aromatic ketone | |
| ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. | 2.89 | 3 | 0 | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| zimelidine hydrochloride [no description available] | 2.11 | 1 | 0 | ||
| srt1720 [no description available] | 2.89 | 3 | 0 | ||
| purfalcamine purfalcamine: a PfCDPK-1 inhibitor; structure in first source | 2.89 | 3 | 0 | ||
| bms 754807 BMS 754807: an IGR-1R kinase inhibitor; structure in first source | 2.89 | 3 | 0 | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ponatinib [no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
| quizartinib [no description available] | 2.89 | 3 | 0 | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor |
| PP121 [no description available] | 2.89 | 3 | 0 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor |
| navitoclax [no description available] | 2.89 | 3 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
| gsk 650394 [no description available] | 2.89 | 3 | 0 | phenylpyridine | |
| dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | 2.89 | 3 | 0 | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
| cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. | 2.89 | 3 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
| TAK-580 MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 2.89 | 3 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
| 8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one [no description available] | 2.89 | 3 | 0 | chromones | |
| pf 3758309 PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | 2.89 | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | 2.63 | 2 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
| 5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available] | 2.89 | 3 | 0 | aryl sulfide; thienopyrimidine | |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available] | 2.89 | 3 | 0 | aryl sulfide; thienopyrimidine | |
| 5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available] | 2.89 | 3 | 0 | aryl sulfide; thienopyrimidine | |
| baricitinib [no description available] | 2.89 | 3 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
| 6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available] | 2.89 | 3 | 0 | quinazolines | |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2 | 2.89 | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide [no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
| p505-15 [no description available] | 2.89 | 3 | 0 | ||
| mrt67307 MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | 2.89 | 3 | 0 | aromatic amine | |
| N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide [no description available] | 2.89 | 3 | 0 | piperazines | |
| ribociclib ribociclib: inhibits both CDK4 and CDK6 | 2.89 | 3 | 0 | ||
| 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone [no description available] | 2.89 | 3 | 0 | aromatic ketone; thienopyrimidine | |
| pha 793887 [no description available] | 2.89 | 3 | 0 | piperidinecarboxamide | |
| gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source | 2.21 | 1 | 0 | indazoles | |
| ml228 probe ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. | 2.89 | 3 | 0 | 1,2,4-triazines; biphenyls; pyridines; secondary amino compound | hypoxia-inducible factor pathway activator |
| pf-03882845 [no description available] | 2.89 | 3 | 0 | ||
| jq1 compound [no description available] | 2.89 | 3 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
| pf-04620110 PF-04620110: a DGAT1 inhibitor; structure in first source | 2.89 | 3 | 0 | ||
| gsk525762a molibresib: mimicks acetylated histones; structure in first source | 2.89 | 3 | 0 | benzodiazepine | |
| birinapant birinapant: a Smac mimetic with antineoplastic activity | 2.21 | 1 | 0 | dipeptide | |
| torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | 2.89 | 3 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
| abt-199 venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. | 2.89 | 3 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
| 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available] | 2.89 | 3 | 0 | ureas | |
| N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide [no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes | |
| ncgc00242364 NCGC00242364: structure in first source | 2.89 | 3 | 0 | quinazolines | |
| gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source | 2.89 | 3 | 0 | imidazoquinoline | |
| hs-173 [no description available] | 2.89 | 3 | 0 | ||
| sr1664 [no description available] | 2.89 | 3 | 0 | indolecarboxamide | |
| 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source | 2.89 | 3 | 0 | ||
| N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide [no description available] | 2.59 | 2 | 0 | benzamides; N-acylpiperidine | |
| N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available] | 2.59 | 2 | 0 | aminoquinoline | |
| cudc-907 [no description available] | 2.89 | 3 | 0 | ||
| methacycline Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. | 2.21 | 1 | 0 | ||
| chlortetracycline hydrochloride Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil | 2.11 | 1 | 0 | ||
| methacycline monohydrochloride [no description available] | 2.59 | 2 | 0 | ||
| 2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid [no description available] | 2.89 | 3 | 0 | quinolines | |
| viridicatumtoxin viridicatumtoxin: isolated from cultures of Penicillium viridicatum; RN given refers to 2'alpha,7'beta,11'abeta,12'beta-(-) isomer. viridicatumtoxin : A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. | 2.11 | 1 | 0 | ||
| agi-5198 AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source | 2.89 | 3 | 0 | ||
| cep-32496 agerafenib: inhibitor of RAF family kinases; structure in first source | 2.89 | 3 | 0 | ||
| epz004777 [no description available] | 2.89 | 3 | 0 | N-glycosyl compound | |
| 3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid [no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
| entecavir [no description available] | 2.89 | 3 | 0 | benzamides; N-acylpiperidine | |
| gkt137831 setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative | 2.89 | 3 | 0 | ||
| vx-509 [no description available] | 2.89 | 3 | 0 | ||
| vx-970 berzosertib: an ATR kinase inhibitor | 2.89 | 3 | 0 | sulfonamide | |
| gs-9973 [no description available] | 2.89 | 3 | 0 | ||
| amg 925 AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML). | 2.89 | 3 | 0 | ||
| gne-618 GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source | 2.89 | 3 | 0 | ||
| g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source | 2.89 | 3 | 0 | ||
| volitinib [no description available] | 2.89 | 3 | 0 | ||
| ML355 ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. | 2.89 | 3 | 0 | benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor |
| acp-196 acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. | 2.89 | 3 | 0 | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). | 2.89 | 3 | 0 | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| agi-6780 AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source | 2.89 | 3 | 0 | ||
| khs101 KHS101: a small molecule accelerates neuronal differentiation in the adult rat | 2.89 | 3 | 0 | ||
| cb-839 [no description available] | 2.89 | 3 | 0 | ||
| gsk-j4 GSK-J4: a JMJD3 inhibitor; structure in first source | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
| pf-06424439 PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source | 2.89 | 3 | 0 | ||
| etp-46464 ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source | 2.89 | 3 | 0 | ||
| onc201 TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source | 2.89 | 3 | 0 | ||
| kai407 KAI407: an antimalarial; structure in first source | 2.89 | 3 | 0 | ||
| 6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source | 2.89 | 3 | 0 | ||
| enasidenib [no description available] | 2.89 | 3 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| oicr-9429 OICR-9429: antineoplastic; structure in first source | 2.89 | 3 | 0 | ||
| lly-507 LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes. | 2.89 | 3 | 0 | ||
| at 9283 [no description available] | 2.89 | 3 | 0 | ||
| hypoxanthine [no description available] | 2.89 | 3 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
| clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. | 2.89 | 3 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
| dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration. | 2.11 | 1 | 0 | dacarbazine | |
| hematein hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. | 2.11 | 1 | 0 | ||
| 1-hydroxyphenazine 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. | 2.89 | 3 | 0 | phenazines | |
| ro 24-7429 Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9 | 2.89 | 3 | 0 | benzodiazepine | |
| nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | 2.89 | 3 | 0 | ||
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available] | 2.89 | 3 | 0 | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
| ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. | 2.89 | 3 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
| rvx 208 apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation | 2.89 | 3 | 0 | ||
| bmn 673 talazoparib: inhibits both PARP1 and PARP2; structure in first source | 2.89 | 3 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
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