Compounds > 2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone
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2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone
Description
2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone : no description available [CHeBI]
Cross-References
Synonyms (17)
| Synonym |
|---|
| REGID4245083 |
| MLS000091658 , |
| 2-cyclopentyl-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-9-methyl-2,9-dihydro-1h-beta-carbolin-1-one |
| smr000026208 |
| MLS001367810 |
| CHEBI:121891 |
| HMS1624N11 |
| AKOS001787061 |
| 2-cyclopentyl-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-9-methyl-1h,2h,9h-pyrido[3,4-b]indol-1-one |
| 2-cyclopentyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-9-methylpyrido[3,4-b]indol-1-one |
| CCG-28529 |
| HMS2348E22 |
| CHEMBL1504498 |
| 2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone |
| Q27210499 |
| sr-01000105449 |
| SR-01000105449-1 |
Drug Classes (1)
| Class | Description |
|---|
| beta-carbolines | Any pyridoindole containing a beta-carboline skeleton and their hydrogenated derivatives |
Protein Targets (17)
Potency Measurements
Bioassays (10)
| Assay ID | Title | Year | Journal | Article |
|---|
| AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
| AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X | |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X | |
| AID652178 | Confirmed Agonists of Novel Allosteric Modulators of the M1 Muscarinic Receptor | 2013 | Molecules (Basel, Switzerland), Jan-08, Volume: 18, Issue:1
ISSN: 1420-3049 | Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. |
Research
Studies (8)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (12.50) | 29.6817 |
| 2010's | 6 (75.00) | 24.3611 |
| 2020's | 1 (12.50) | 2.80 |
Study Types
| 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 | 8 (100.00%) | 84.16% |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| fg 7142 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norharman | | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rutecarpine | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| centbutindole | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metralindole | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubulosine | | beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-4272 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-carboline-3-carboxylic acid ethyl ester | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-carboline-3-carboxylic acid methyl ester | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tryptoline | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zk 93426 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyltryptoline | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zk 93423 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propyl beta-carboline-3-carboxylate | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-butyl beta-carboline-3-carboxylate | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-methyl-7-bromoeudistomin d | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| evodiamine | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-hydroxytryptoline | | beta-carbolines | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-ethylharmine | | aromatic ether;
beta-carbolines;
semisynthetic derivative | anti-HIV agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Methyl nigakinone | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-16248 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methoxyethyl)-9-methyl-N-[3-(4-methyl-1-piperidinyl)propyl]-1-oxo-4-pyrido[3,4-b]indolecarboxamide | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methoxyethyl)-9-methyl-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-pyrido[3,4-b]indolone | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methoxyethyl)-9-methyl-1-oxo-N-(thiophen-2-ylmethyl)-4-pyrido[3,4-b]indolecarboxamide | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[9-methyl-2-(2-methylpropyl)-1-oxo-4-pyrido[3,4-b]indolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-cyclohexyl-9-methyl-1-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-pyrido[3,4-b]indolecarboxamide | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| annomontine | | alkaloid;
aminopyrimidine;
beta-carbolines | antiparasitic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-hydroxymanzamine a | | alkaloid;
beta-carbolines;
isoquinolines | anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nigakinone | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nostocarboline | | alkaloid;
beta-carbolines;
organic cation;
organochlorine compound | antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxymethyl-beta-carboline | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manzamine a | | alkaloid;
beta-carbolines;
isoquinolines | animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ps1145 | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ko 143 | | beta-carbolines;
tert-butyl ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| strictosamide | | beta-carbolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| minoxidil | | dialkylarylamine;
tertiary amino compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| spiperone | | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| pilocarpine hydrochloride | | hydrochloride | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| rhein | | dihydroxyanthraquinone | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| bethanechol chloride | | carbamate ester;
chloride salt;
quaternary ammonium salt | muscarinic agonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(cyclohexylthio)phthalimide | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| oxcarbazepine | | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ergocornine | | ergot alkaloid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| butyrylcholine chloride | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| monopentyl phthalate | | phthalic acid monoester | anti-estrogen;
rat metabolite;
xenobiotic metabolite | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-amino-4-trifluoromethylcoumarin | | 7-aminocoumarins | fluorochrome | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| alpha-(n6-adenyl)styrene oxide | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | | aromatic amide;
thiophenes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone | | aromatic ketone | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | triazolopyrimidines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione | | oxopurine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide | | benzotriazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[(1-cyclopentyl-5-tetrazolyl)-[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-7-methyl-1H-quinolin-2-one | | piperazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester | | amidobenzoic acid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | | piperazines;
pyridines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide | | aminoquinoline | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[3-(1,3-dioxo-2-isoindolyl)propylamino]-2-methylisoindole-1,3-dione | | phthalimides | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 9-[3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one | | carbazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine | | piperazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide | | sulfonamide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-methyl-N-[5-(5-methyl-2-pyrazinyl)-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | | pyrazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone | | quinazolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide | | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide | | organonitrogen compound;
organooxygen compound | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| pilocarpine nitrate | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-diethylaminocoumarin-3-carboxylic acid | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(4-methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | | methoxybenzenes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| cyclopropanecarboxylic acid [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenyl] ester | | pyranopyrazole | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide | | pyrimidines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one | | pyrazoles;
ring assembly | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid | | sulfonamide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(1H-benzimidazol-2-yl)quinoline | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester | | amidobenzoic acid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-ethylphenyl)-N-(3-pyridinylmethyl)methanamine | | aromatic amine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methyl-5-propyl-7-furo[3,2-g][1]benzopyranone | | psoralens | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide | | N-arylpiperazine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | | monocarboxylic acid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide | | thiophenes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| LSM-16463 | | pyrazoles;
ring assembly | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[2-(9-methyl-6-indolo[3,2-b]quinoxalinyl)ethyl]morpholine | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester | | benzamides | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone | | benzimidazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide | | piperazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide | | aromatic amide | | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | | triazolopyrimidines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone | | aromatic ketone | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide | | aromatic amide;
furans | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide | | anilide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(2-furanyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide | | pyrazolopyrimidine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanone | | pyrimidines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione | | phthalimides | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | | pyrazoles;
ring assembly | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | | alpha-amino acid ester | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide | | amino acid amide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester | | dimethoxybenzene | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester | | amidobenzoic acid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide | | benzodioxine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester | | 3'-deoxyribonucleoside;
purines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid thiophen-2-ylmethyl ester | | benzoate ester | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-benzoyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide | | isoquinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | | pyrazoles;
ring assembly | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 9-chloro-6-methylindolo[3,2-b]quinoxaline | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-chloro-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide | | piperazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide | | oxadiazole;
ring assembly | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide | | aromatic amide;
furans | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide | | phthalazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide | | aromatic amide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one | | pyrrolopyridine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone | | N-arylpiperazine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone | | piperazines;
pyridines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[[4-(dimethylamino)phenyl]methyl]-3-ethyl-N-(2-furanylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide | | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide | | aromatic amide;
furans | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide | | aromatic ether | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[3-[(2-furanylmethylamino)-oxomethyl]-7-methoxy-1-benzopyran-2-ylidene]amino]benzoic acid | | 1-benzopyran | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamide | | benzodioxine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester | | quinazolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one | | quinolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide | | aromatic amide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-propanol | | triazolopyrimidines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| methysergide maleate | | ergoline alkaloid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| morin | | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | triazolopyrimidines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | | isoindoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide | | pyrroloquinoline | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[[1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | | 1,3-oxazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,5-dimethyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-2-pyrrolo[3,2-c]quinolinecarboxamide | | pyrroloquinoline | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(4-tetrazolo[1,5-a]quinoxalinyl)morpholine | | quinoxaline derivative | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea | | quinazolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-hydroxyquinoline | | monohydroxyquinoline | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |