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2-methyl-4(3h)-quinazolinone
Description
2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source [MeSH]
Cross-References
| ID Source | ID |
|---|
| PubMed CID | 135400457 |
| CHEMBL ID | 395092 |
| SCHEMBL ID | 47338 |
| MeSH ID | M0185516 |
Synonyms (84)
| Synonym |
|---|
| HMS1578C10 |
| 132305-21-6 |
| AC-12547 |
| AKOS000421640 |
| b 101 |
| 2-methyl-chinazolinone(4) [german] |
| 2-methylquinazolin-4(1h)-one |
| einecs 217-189-2 |
| 4-quinazolinol, 2-methyl- |
| nsc 2757 |
| ai3-52030 |
| 2-methyl-4-quinazolinol |
| nsc 12005 |
| 2-methylquinazolone |
| BB 0242142 |
| 1769-24-0 |
| nsc2757 |
| nsc-2757 |
| smr000135142 |
| 2-methyl-4(3h)-quinazolinone |
| MLS000530165 |
| NCI60_002243 |
| SDCCGMLS-0064660.P001 |
| nsc-12005 |
| nsc12005 |
| 2-methyl-4-quinazolinone |
| 4(1h)-quinazolinone, 2-methyl- |
| 2-methylquinazolin-4(3h)-one |
| inchi=1/c9h8n2o/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5h,1h3,(h,10,11,12 |
| 2-methyl-4(3h)-quinazolinone, 97% |
| 2-methyl-3h-quinazolin-4-one |
| bdbm50241202 |
| AKOS000497204 |
| AKOS000499204 |
| 2-methylquinazolin-4-ol |
| CHEMBL395092 , |
| 2-methyl-1h-quinazolin-4-one |
| inchi=1/c9h8n2o/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5h,1h3,(h,10,11,12) |
| fieyhaamdapvch-uhfffaoysa- |
| AB00675722-01 |
| NCGC00245555-01 |
| unii-oh2a0nma88 |
| 2-methyl-chinazolinone(4) |
| oh2a0nma88 , |
| A15309 |
| HMS2363N06 |
| MEW , |
| F1685-0434 |
| FT-0633828 |
| AM20030172 |
| AB00449332-08 |
| SCHEMBL47338 |
| EE-0034 |
| smr004612696 |
| MLS005940001 |
| 2-methylquinazolin-4-one |
| 2-methyl-quinazolin-4-one |
| 2-methyl-4-oxo-3,4-dihydroquinazoline |
| 2-methyl-4-(3h)quinazolinone |
| 2-methyl-4-oxo-3.4-dihydroquinazoline |
| 4-hydroxy-2-methylquinazoline |
| cambridge id 5130659 |
| BS-3873 |
| DTXSID10170208 |
| mfcd05270928 |
| 4LLK |
| J-509966 |
| mfcd00006887 |
| 2-methyl-4(1h)-quinazolinone |
| 2-methyl-4-quinazolone |
| desmopressinacetate |
| Q27463113 |
| M2709 |
| 2-methyl-4(3h)-quinazolone |
| 2-methyl-4-oxoquinazoline |
| 3h-2-methyl-4-oxoquinazoline |
| CS-0043891 |
| 2-methyl-3,4-dihydroquinazolin-4-one |
| EN300-05190 |
| F51890 |
| HY-W051513 |
| PD158403 |
| SY106212 |
| Z56895688 |
Protein Targets (4)
Potency Measurements
Inhibition Measurements
Bioassays (23)
| Assay ID | Title | Year | Journal | Article |
|---|
| 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. |
| 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. |
| 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. |
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X | |
| 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 | |
| AID293114 | Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll content | 2007 | Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3
ISSN: 0968-0896 | Investigating biological activity spectrum for novel quinoline analogues. |
| AID645260 | Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry | 2012 | European journal of medicinal chemistry, Apr, Volume: 50ISSN: 1768-3254 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors. |
| AID1625393 | Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate by colorimetric assay | 2016 | Journal of medicinal chemistry, Aug-11, Volume: 59, Issue:15
ISSN: 1520-4804 | PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design. |
| AID293115 | Antiproliferative activity against human SK-N-MC cells by MTT assay | 2007 | Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3
ISSN: 0968-0896 | Investigating biological activity spectrum for novel quinoline analogues. |
| AID293113 | Inhibition of photosynthesis in spinach chloroplast | 2007 | Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3
ISSN: 0968-0896 | Investigating biological activity spectrum for novel quinoline analogues. |
| AID154621 | The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition | 2001 | Journal of medicinal chemistry, Nov-08, Volume: 44, Issue:23
ISSN: 0022-2623 | Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis. |
| AID602592 | Antifungal activity against Candida albicans after 12 hrs by agar dilution method | 2011 | Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13
ISSN: 1464-3405 | Antifungal quinazolinones from marine-derived Bacillus cereus and their preparation. |
| AID1460234 | Inhibition of PARP (unknown origin) | 2017 | Bioorganic & medicinal chemistry letters, 02-01, Volume: 27, Issue:3
ISSN: 1464-3405 | Design, synthesis and biological activity of novel molecules designed to target PARP and DNA. |
| AID293112 | Lipophilicity, log K of the compound | 2007 | Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3
ISSN: 0968-0896 | Investigating biological activity spectrum for novel quinoline analogues. |
| AID493017 | Wombat Data for BeliefDocking | 2001 | Journal of medicinal chemistry, Nov-08, Volume: 44, Issue:23
ISSN: 0022-2623 | Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis. |
| 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. |
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6
ISSN: 1552-454X | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
| AID977610 | Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB | 2014 | Journal of biomolecular screening, Apr, Volume: 19, Issue:4
ISSN: 1552-454X | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. |
| AID1159537 | qHTS screening for TAG (triacylglycerol) accumulators in algae | 2017 | Plant physiology, Aug, Volume: 174, Issue:4
ISSN: 1532-2548 | Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6
ISSN: 1552-454X | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2022 | Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1
ISSN: 1475-6374 | |
Research
Studies (20)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 1 (5.00) | 18.2507 |
| 2000's | 3 (15.00) | 29.6817 |
| 2010's | 14 (70.00) | 24.3611 |
| 2020's | 2 (10.00) | 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 | 20 (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 |
|---|
| levoplast | | C-nitro compound | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| hippuric acid | | N-acylglycine | human blood serum metabolite;
uremic toxin | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| xanthine | | xanthine | Saccharomyces cerevisiae metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| atrolactic acid | | 2-hydroxy monocarboxylic acid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,5-dihydroxyisoquinoline | | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 3-aminobenzamide | | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2001 | 2017 | 14.0 | low | 0 | 0 | 0 | 1 | 2 | 0 |
| 4-amino-1,8-naphthalimide | | benzoisoquinoline;
dicarboximide | | 2001 | 2017 | 15.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| phenanthridone | | lactam;
phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| etofylline | | oxopurine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-acetyltryptophan | | N-acetyl-amino acid;
tryptophan derivative | metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ethacridine | | acridines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-aminoisoquinolinone | | isoquinolines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| altretamine | | triamino-1,3,5-triazine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| benzamide | | benzamides | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2,5-di-tert-butylhydroquinone | | hydroquinones | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| cx546 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| diphenhydramine | | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| diuron | | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic | 2007 | 2017 | 12.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| ibuprofen | | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ipriflavone | | aromatic ether;
isoflavones | bone density conservation agent | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-methyl-3-isobutylxanthine | | 3-isobutyl-1-methylxanthine | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ketoconazole | | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | | 2011 | 2011 | 13.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| mebendazole | | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| nocodazole | | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| papaverine | | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| pentoxifylline | | oxopurine | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| piribedil | | N-arylpiperazine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| pj-34 | | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| procainamide | | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| prometone | | diamino-1,3,5-triazine;
methoxy-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| propanil | | anilide;
dichlorobenzene | herbicide | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| rolipram | | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| sulfadimethoxine | | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| sulfamethazine | | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| sulfathiazole | | 1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| testosterone | | 3-hydroxy steroid | androgen | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| zardaverine | | organofluorine compound;
pyridazinone | anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-hydroxybenzylbenzimidazole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| etimizol | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| nifenalol | | C-nitro compound | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| bis(4-hydroxyphenyl)sulfone | | bisphenol;
sulfone | endocrine disruptor;
metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-hydroxyquinoline-5-sulfonic acid | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| salicylanilide | | benzanilide fungicide;
salicylamides;
salicylanilides | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-phenylbutyric acid | | benzenes;
monocarboxylic acid | human xenobiotic metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,4'-dimethoxybenzophenone | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-phenyl-1,3,5-triazine-2,4-diamine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| quinaldic acid | | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-methoxyphenyl)acetamide | | acetamides;
methoxybenzenes | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| fast red b | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| methylenebis(chloroaniline) | | chloroaniline | metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| di-(4-aminophenyl)ether | | aromatic ether | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| diphenylguanidine | | guanidines | allergen | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-Anilino-4-oxobutanoic acid | | anilide | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| mephobarbital | | barbiturates | anticonvulsant | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| etryptamine | | indoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-hydroxyphthalazine | | phthalazines | | 2001 | 2001 | 23.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| sulfacetamide | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| cinchophen | | quinolines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| chlorthenoxazin | | benzoxazine | | 2001 | 2001 | 23.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| 2-aminobenzothiazole | | benzothiazoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| carzenide | | sulfonamide | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| nitrilotriacetic acid | | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(2-cyanoethyl)-2-phenylethylamine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| cyclooctane | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| triphenyltetrazolium chloride | | organic chloride salt | dye;
indicator | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,7-diacetylaminofluorene | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-pyridinedicarboxylic acid | | pyridinedicarboxylic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| isocarbostyril | | isoquinolines | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 4-(benzoylamino)-2-hydroxybenzoic acid | | benzamides | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| tropic acid | | 3-hydroxy monocarboxylic acid | human xenobiotic metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-hydroxy-7-iodo-5-quinolinesulfonic acid | | hydroxyquinoline | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-acetylisatin | | indoledione | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-cumylphenol | | diarylmethane | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-nitroquinoline | | | | 2014 | 2016 | 9.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
| 5-methylisatin | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-hydrazinobenzothiazole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,2,3-trimethoxybenzene | | methoxybenzenes | plant metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-chlorobenzophenone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-4,6-dimethyl pyrimidine | | aminopyrimidine | | 2014 | 2016 | 9.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
| diphenamid | | diarylmethane | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(4-nitrobenzyl)pyridine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-methyl-3-phenylisoxazole-4-carboxylic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-acetylbenzofuran | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| pyrazon | | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-nitrobenzophenone | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| (4-tert-Butyl-phenoxy)-acetic acid | | monocarboxylic acid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| lenacil | | cyclopentapyrimidine | agrochemical;
environmental contaminant;
herbicide;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| chlordesmethyldiazepam | | benzodiazepine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-2',5-dichlorobenzophenone | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2'-hydroxyphenyl)benzimidazole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-phthalimidobutyric acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| azabutyrone | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2-hydroxyphenyl)benzothiazole | | benzothiazoles;
phenols | geroprotector | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,5-dichlorocatechol | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-butylbenzenesulfonamide | | sulfonamide | neurotoxin;
plant metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-phenoxybenzoic acid | | phenoxybenzoic acid | human xenobiotic metabolite;
marine xenobiotic metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2-hydroxyethylmercapto)benzothiazole | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| carboxin | | anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-nitroindazole | | | | 2014 | 2016 | 9.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| meturin | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-bromo-N-phenylbenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chlorohippuric acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chlorophenoxyacetic acid | | chlorophenoxyacetic acid;
monochlorobenzenes | phenoxy herbicide | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,5-dichloro-1,4-phenylenediamine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| metribuzin | | 1,2,4-triazines;
cyclic ketone;
organic sulfide | agrochemical;
environmental contaminant;
herbicide;
xenobiotic | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,5-dimethyl-3-furancarboxanilide | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| moricizine hydrochloride | | hydrochloride | anti-arrhythmia drug | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-benzimidazolylguanidine | | aminoimidazole | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| diflubenzuron | | benzoylurea insecticide;
monochlorobenzenes | insect sterilant | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| pentafluorobenzoyl-n-phenylethylamine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| thidiazuron | | ureas | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| phenthiazamine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5,5-diphenylbarbituric acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-acetamidobenzoic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| dazoxiben hydrochloride | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| succinylsulfanilamide | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| benzylaminopurine | | 6-aminopurines | cytokinin;
plant metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ciprofloxacin hydrochloride anhydrous | | hydrochloride | antibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| src-820 r | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,4(1h,3h)-quinazolinedione | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| n(4)-acetylsulfadiazine | | acetamides;
pyrimidines;
sulfonamide | marine xenobiotic metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-hydroxybenzamide | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 4-nitro-alpha-acetylamino-beta-hydroxypropiophenone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| formetamide | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| isbufylline | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| naphthalimides | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 7-chloro-4-hydroxyquinoline | | | | 2014 | 2016 | 9.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
| phenylacetylglycine | | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-benzoylanthranilic acid | | amidobenzoic acid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| butinoline | | diarylmethane | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(2-carboxyphenyl)glycine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n,n-dimethyl-4-anisidine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-benzoylpiperidine | | benzamides;
N-acylpiperidine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-phenylcyclopropanecarboxylic acid | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-demethylantipyrine | | pyrazoles;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine | | 1,2,4-triazines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-bromopyridine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| n-benzoylalanine, (dl-ala)-isomer | | alanine derivative;
N-acyl-amino acid | metabolite | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| bicinchoninic acid | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-fluorobenzamide | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| betamipron | | organonitrogen compound;
organooxygen compound | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| benzoylpropionic acid | | 4-oxo monocarboxylic acid | hapten | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Evoxine | | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | | harmala alkaloid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-Benzylphthalimide | | isoindoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| pyromellitic diimide | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4'-bromosalicylanilide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-aminobenzamide | | benzamides | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane | | bisphenol | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| terephthalamide | | benzenedicarboxamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl- | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-nitrophenylacetic acid | | C-nitro compound;
phenylacetic acids | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| onychine | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 4'-methoxyflavone | | ether;
flavonoids | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,3-diphenyl-2-aminopropane | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,2-diphenylpropionic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dimethoxyphenylacetamide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-bromobenzoic acid | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(1H-benzimidazol-2-yl)aniline | | benzimidazoles;
primary arylamine;
substituted aniline | geroprotector | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-Acetylhomoveratrylamine | | acetamides | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-chlorobenzenesulfonamide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-nitrophenyl dimethylcarbamate | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-(4-tolylsulfonylamino)quinoline | | sulfonamide | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-methoxyindole-3-carbaldehyde | | indoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-oxo-1,2-dihydroquinoline-4-carboxylic acid | | quinolinemonocarboxylic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | | beta-carbolines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| pd 147953 | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| fenozan | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-phenylbarbituric acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| diethylpropion hydrochloride | | hydrochloride | appetite depressant | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| beta-hydroxyphenylalanine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(n-salicyloyl)amino-1,2,4-triazole | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-chloro-4-aminoquinoline | | aminoquinoline | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| acridine-9-carboxylic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-phenazinecarboxylic acid | | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,5-diphenyl-1,5-dihydroimidazol-2-one | | stilbenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-hydroxy-1,2-bis(methoxyphenyl)ethanone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methyl-N-(phenylmethyl)benzenesulfonamide | | sulfonamide | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-n-butylaminobenzoic acid | | aromatic amino acid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| fluoren-9-ol | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-carboxyethyl)uracil | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-benzylindole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,3-bis(2-pyridinyl)quinoxaline | | quinoxaline derivative | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol | | dichlorobenzene;
hydroxybiphenyls | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-nitro-2-(1-piperidinyl)pyridine | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5,7-dimethyl-1,8-naphthyridine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-benzyloxytryptophan | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methoxybenzamide | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2,5-diethoxy-4-morpholinoaniline | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-hydroxy-3-phenacyloxindole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| carbobenzoxyphenylalanine, (dl-phe)-isomer | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| gamma-fagarine | | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-carboxymethyl-6-benzyl-2,5-diketopiperazine | | organonitrogen compound;
organooxygen compound | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-fluorobenzenesulfonamide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| emoxypine succinate | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-carbamyltryptophan | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,4,6-trimethoxyacetophenone | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methyoxybenzoyl-n-glycine | | N-acylglycine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-ethoxy-2-ethylmercaptobenzimidazole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-phenyliminodiacetic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| teomorfolin | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone | | benzodioxoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dihydro-5-methyl-1(2h)-isoquinolinone | | isoquinolines | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 9-(2-hydroxy-3-nonyl)adenine | | EHNA | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| cilomilast | | methoxybenzenes | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(aminocarbonyl)-2-chlorobenzenesulfonamide | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-hydroxy-2-quinoxalinepropionic acid | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-(methylsulfonylamino)quinoline | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| rp 73401 | | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n(4)-acetylsulfamonomethoxine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-(4-benzenesulfonylamino)quinoline | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| methindione | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dihydroxybenzophenone | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| gamma-propanol | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | | benzenes;
nitrile | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| isonicotinylamide gaba | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-fluorotryptamine monohydrochloride | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(hydroxyacetyl)indole | | indoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(4-aminophenylsulfonyl)morpholine | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1H-indol-3-yl-(4-methoxyphenyl)methanone | | N-acylindole | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-phenyl-1,3,4-thiadiazole | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(1-phenylethyl)acetamide | | acetamides;
secondary carboxamide | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| alpha-(trichloromethyl)-4-pyridineethanol | | pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| ml 204 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| eudesmin | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-4-methyl-3-nitropyridine | | | | 2014 | 2017 | 8.3 | high | 0 | 0 | 0 | 0 | 3 | 0 |
| 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| n-acetylhistidine | | histidine derivative;
N-acetyl-amino acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid | | acetamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methoxyxanthone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-nitrophenyl)-2-phenoxyacetamide | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-phenylindolin-2-one | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(benzenesulfonyl)indole | | sulfonamide | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile | | dihydropyridine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| pifithrin mu | | benzenes | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-benzyloxybenzaldehyde | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-guanidine-4-methylquinazoline | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-phenylcarbamic acid 2-phenoxyethyl ester | | carbamate ester | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| mequindox | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide | | diarylmethane | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| Girgensonine | | nitrile | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| Dubinidine | | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| rolipram | | rolipram | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| mesopram | | | | 2016 | 2016 | 8.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| roflumilast | | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-(methanesulfonamido)phenyl]acetamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(2-oxazolo[4,5-b]pyridinyl)aniline | | 1,3-oxazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole | | benzoxazole | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium | | pyridazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone | | substituted aniline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-phenyl-4-pyrazolol | | pyrazoles;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide | | benzothiazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-benzamido-2-benzofurancarboxamide | | benzofurans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(4-methoxyphenyl)ethyl]acetamide | | acetamides | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(1H-indol-3-ylthio)acetic acid | | indoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide | | carbonyl compound;
organohalogen compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-Methylbenzofuran-2-carboxylic acid | | benzofurans | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(3,4-dimethoxyphenyl)-2H-tetrazole | | tetrazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | | alkylbenzene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-phenylindole-3-carbaldehyde | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | | aryl sulfide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(4-nitrophenyl)-4-phenyl-2-thiazolamine | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline | | pyrimidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-methoxyisoflavone | | 7-methoxyisoflavones | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| LSM-32392 | | monoterpenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-acetamido-5-chloro-2-benzofurancarboxylic acid | | benzofurans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone | | dimethoxybenzene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine | | N-arylpiperazine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| haplamine | | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine | | triazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| cyclic nucleotide phosphodiesterases, type 4 | | | | 2016 | 2016 | 8.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline | | pyridines;
pyrrolidines;
quinazolines | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| scp 1 | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-acetamidophenyl)-4-methoxybenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-acetamidophenyl)-3-chlorobenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-fluorophenyl)-4-phenylmethoxybenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-(diethylamino)phenyl]-2-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-furanylmethyl)-2-benzofurancarboxamide | | benzofurans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine | | aromatic amine;
thiadiazoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| te 5 | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide | | ureas | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine | | benzothiazoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-methylflavone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methoxy-N-(2-pyridinyl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-chloro-N-(2-phenylethyl)benzamide | | carbonyl compound;
organohalogen compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide | | carbonyl compound;
organohalogen compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| tioxazafen | | 1,2,4-oxadiazole;
thiophenes | agrochemical;
nematicide | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-Methoxyphenyl)-2-nitroethylene | | methoxybenzenes | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| brd32048 | | methoxybenzenes;
substituted aniline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine | | imidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(2-phenyl-4-triazolyl)-2H-tetrazole | | triazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-cyclohexyl-2,3-dihydroindole-1-carboxamide | | indolyl carboxylic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | | aryl sulfide;
benzenes;
thienopyrimidine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone | | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide | | indolecarboxamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(1H-benzimidazol-2-yl)quinoline | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one | | aromatic ketone | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,5-dimethylphenyl)-2-benzofurancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-methoxyphenyl)-2-benzofurancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(9h-xanthen-9-yl)-malonic acid | | xanthenes | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(1,3-benzothiazol-2-yl)-3-phenylurea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one | | imidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-acetamidophenyl)-2-bromobenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-bromo-N-phenacylbenzamide | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone | | indoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide | | triazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N,N-dimethyl-N'-p-tolylsulfamide | | sulfamides | marine xenobiotic metabolite | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(1-piperidinylmethyl)phenol | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,6-bis(benzimidazol-2-yl)pyridine | | benzimidazoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-cyclohexyl-3-(2-phenylethyl)urea | | benzenes | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(3,5-dichlorophenyl)-3-phenylurea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(cyclohexylmethyl)-4-phenylpiperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-phenethyl-2-furamide | | aromatic amide;
heteroarene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| paromomycin sulfate | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine | | aralkylamine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide | | monoterpenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile | | nitrile;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| vu0099704 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | | pyrazoles;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline | | triazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide | | pyrroloquinoline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole | | aryl sulfide | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| (3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-fluoro-N-phenacylbenzamide | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile | | nitrile;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone | | carbonyl compound;
thiol | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| GS4012 free base | | aryl sulfide;
monomethoxybenzene;
pyridines | VEGF activator | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-methylanilino)-1-(4-nitrophenyl)ethanone | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide | | amino acid amide;
glycine derivative | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine | | N-arylpiperazine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-Piperidinobenzoic acid | | piperidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide | | pyrroloquinoline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide | | sulfonamide | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide | | benzodioxine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-(3,5-dimethyl-1-pyrazolyl)quinoline | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2'-nitroflavone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine | | aminoquinoline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | | aromatic compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| vrt 532 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-piperonylpiperidine | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol | | aromatic amine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol | | aromatic amine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one | | pyrazolopyrimidine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide | | imidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | | aryl sulfide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine | | benzoxazole | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid | | N-acylglycine | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| (4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone | | aromatic ketone | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-acetamidophenyl)-2-chlorobenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | | dialkylarylamine;
tertiary amino compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-bromo-N-(3-methoxyphenyl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | | aromatic ether;
C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea | | quinoxaline derivative | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(dimethylsulfamoylamino)-9H-fluorene | | fluorenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chloro-1-ethyl-3-nitro-2-quinolinone | | nitro compound;
quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone | | quinolines | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde | | arenecarbaldehyde | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone | | stilbenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide | | triazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide | | anilide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide | | organofluorine compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide | | phthalazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide | | phthalimides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | | stilbenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | | oxadiazole;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole | | pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione | | phthalimides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| (2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | | benzimidazoles | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide | | carbazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | | primary carboxamide;
pyrazines;
secondary carboxamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide | | benzodioxoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea | | benzodioxine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline | | aryl sulfide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[2-(2-chlorophenoxy)ethyl]benzimidazole | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine | | triazolopyridazine | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-acetylphenyl)-2-thiophen-2-ylacetamide | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| oncrasin-1 | | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-anilinophenyl)-2-methylpropanamide | | anilide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-fluorophenyl)-3-phenylpropanamide | | anilide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[(Phenylthio)acetyl]piperidine | | N-acylpiperidine | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole | | oxadiazole;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid | | trihydroxybenzoic acid | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(4-morpholinylmethyl)-3-quinolinol | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione | | naphthofuran | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | | aromatic amide;
heteroarene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide | | acetamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-propylsulfonyl-4-(2-pyridinyl)piperazine | | piperazines;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2-phenylethylthio)-3-pyridinecarboxylic acid | | aromatic carboxylic acid;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide | | benzamides | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide | | thiazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-cyclohexyl-3-(3-ethylphenyl)urea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| n-phenylpiracetam | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide | | biphenyls | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide | | isoquinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1,4-bis(thiophen-2-ylsulfonyl)piperazine | | N-sulfonylpiperazine;
thiophenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone | | quinazolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea | | morpholines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate | | carbamate ester;
sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| LSM-4563 | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline | | piperazines;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine | | tetrazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide | | 1,3-oxazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone | | piperazines;
pyridines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol | | thiazolopyrimidine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide | | acetamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid | | methoxybenzoic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| stk295900 | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide | | pyridazines;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea | | ureas | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | | methoxybenzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine | | phthalazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| SMER 28 | | organobromine compound;
quinazolines;
secondary amino compound | autophagy inducer | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester | | morpholines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone | | N-acylpiperidine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3-phenylpropyl)methanesulfonamide | | benzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-acetamido-N-(2-methoxyethyl)benzamide | | amidobenzoic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-bromo-N-(2-phenylphenyl)-2-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone | | aralkylamine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | | piperazinecarboxylic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene | | methoxybenzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide | | biphenyls | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol | | nitrophenol | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine | | quinazolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one | | aromatic ketone | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| Methyl(2-furoylamino)acetic acid | | N-acyl-amino acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-nitro-8-(1-pyrrolidinyl)quinoline | | nitro compound;
quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide | | amino acid amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(4-methylphenyl)sulfonylamino]pentanoic acid | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide | | piperidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone | | acetamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | | methoxybenzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | | dialkylarylamine;
tertiary amino compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| (3,5-Dimethyl-1-adamantyl)amine nitrate | | nitrates | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol | | alkylbenzene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine | | N-alkylpyrrolidine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine | | aralkylamine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid | | anilide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide | | monoterpenoid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide | | carbonyl compound;
organohalogen compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid | | benzodioxine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol | | aromatic compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol | | methoxybenzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile | | organochlorine compound;
pyranopyrazole | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol | | benzimidazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide | | hydroxyquinoline | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide | | aromatic amide;
furans | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile | | organic heterobicyclic compound;
organonitrogen heterocyclic compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid | | anilide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid | | organosulfur heterocyclic compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone | | aromatic amide;
thiophenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide | | aromatic amide;
heteroarene | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline | | piperazines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide | | benzothiazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide | | nitro compound;
quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide | | benzamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | | C-nitro compound;
sulfonamide;
toluenes | bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 6,3',4'-Trimethoxyflavanone | | ether;
flavonoids | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-[4-(3-ethoxyphenoxy)butyl]imidazole | | aromatic ether | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole | | oxadiazole;
ring assembly | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione | | phthalimides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| [4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone | | sulfonamide | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide | | amidobenzoic acid | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| LSM-25805 | | isoindoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-ethoxy-N-(3-quinolinyl)benzenesulfonamide | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide | | 1-benzothiophenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| nsc 727447 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide | | acetamides | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide | | C-nitro compound;
thiazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | | methoxybenzenes | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide | | pyrrolidines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide | | sulfonamide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide | | nitrophenol | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide | | quinolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine | | C-nitro compound | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | | aromatic amide | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide | | aromatic amide;
thiazoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| ex 527 | | carbazoles;
monocarboxylic acid amide;
organochlorine compound | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | | indoles | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one | | phenylpyridine | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-methylharman | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-methyl-beta-carboline-3-carboxylic acid | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| baohuoside i | | glycosyloxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3-aminopyridine-2-carboxaldehyde thiosemicarbazone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rs 25344 | | | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone | | | | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nu 1025 | | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sildenafil | | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent | 2016 | 2017 | 7.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| n(4)-desoxychlordiazepoxide | | | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-3-hydroxyphenazine | | | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-hydroxyquinazoline | | quinazolines | | 2001 | 2016 | 13.2 | low | 0 | 0 | 0 | 1 | 3 | 0 |
| 2-styrylquinazolin-4(3h)-one | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-amino-5-iodo-6-phenyl-4-pyrimidinone | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| quininib | | phenols;
styrylquinoline | angiogenesis inhibitor | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| bropirimine | | pyrimidines | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| glycosminine | | quinazolines | | 2011 | 2011 | 13.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one | | quinazolines | | 2017 | 2017 | 7.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one | | quinazolines | | 2017 | 2017 | 7.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| bay 73-6691 | | | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| bay 60-7550 | | | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Design, synthesis and biological activity of novel molecules designed to target PARP and DNA.Bioorganic & medicinal chemistry letters, , 02-01, Volume: 27, Issue:3, 2017
Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.Journal of medicinal chemistry, , Nov-08, Volume: 44, Issue:23, 2001
Design, synthesis and biological activity of novel molecules designed to target PARP and DNA.Bioorganic & medicinal chemistry letters, , 02-01, Volume: 27, Issue:3, 2017
Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.Journal of medicinal chemistry, , Nov-08, Volume: 44, Issue:23, 2001
Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.Plant physiology, , Volume: 174, Issue:4, 2017
PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.Journal of medicinal chemistry, , Aug-11, Volume: 59, Issue:15, 2016
Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.Journal of biomolecular screening, , Volume: 19, Issue:4, 2014
PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.Journal of medicinal chemistry, , Aug-11, Volume: 59, Issue:15, 2016
Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.Journal of biomolecular screening, , Volume: 19, Issue:4, 2014
Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.Journal of medicinal chemistry, , Nov-08, Volume: 44, Issue:23, 2001