Compounds > 6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester : no description available [CHeBI]
Synonym |
smr000120384 |
6-amino-5,7,7-tricyano-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1h-isoquinoline-2-carboxylic acid benzyl ester |
MLS000527810 , |
MLS002539067 |
CHEBI:117052 |
AKOS000667568 |
benzyl 6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate |
HMS2165K17 |
HMS3322F09 |
AKOS024306295 |
CHEMBL1603667 |
sr-01000364656 |
SR-01000364656-1 |
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester |
Q27203675 |
Assay ID | Title | Year | Journal | Article |
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. |
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 | |
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. |
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. |
Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
acemetacin | | carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
camostat | | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cyclandelate | | carboxylic ester; secondary alcohol | vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cyclopentolate | | carboxylic ester; tertiary alcohol; tertiary amino compound | diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
dicyclomine | | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
fenvalerate | | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
flavoxate | | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
fpl 64176 | | carboxylic ester; pyrroles | calcium channel agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
glafenine | | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
oxybutynin | | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
proglumetacin | | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
diethylhexyladipate | | carboxylic ester; dicarboxylic acids and O-substituted derivatives; diester | plasticiser | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
citronellyl formate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
lauryl acetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
n-butyl lactate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
triflusal | | benzoic acids; carboxylic ester; salicylates | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
nitrosomethylurethane | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
diloxanide furoate | | carboxylic ester; furans; organochlorine compound; tertiary carboxamide | antiamoebic agent; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tocamphyl | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
dioctyl adipate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
bitolterol | | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
nitazoxanide | | benzamides; carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
fluazifop-butyl | | aromatic ether; carboxylic ester; organofluorine compound; pyridines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pravastatin | | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
Phenylmethyl benzeneacetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
methylphenylcarbinyl acetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
mevastatin | | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
xanthoxyline | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tosiben | | benzoic acids; carboxylic ester; salicylates | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2,4,6-trihydroxybenzaldehyde | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
aceclofenac | | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
serpentine (alkaloid) | | carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
indicine | | carboxylic ester; pyrrolizines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
clodinafop-propargyl | | aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines | agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cloquintocet-mexyl | | aromatic ether; carboxylic ester; organochlorine compound; quinolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
methyl 5-nitro-2-furoate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
efonidipine | | C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
nitroflurbiprofen | | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone | | carboxylic ester; diazo compound; L-phenylalanine derivative; secondary carboxamide | cathepsin L (EC 3.4.22.15) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cefotiam hexetil | | carboxylic ester | prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
celastrol methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
sulochrin | | benzophenones; carboxylic ester; phenols | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
asperphenamate | | benzamides; carboxylic ester; L-phenylalanine derivative | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
bifenazate | | carboxylic ester | acaricide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
dabigatran etexilate | | aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
Tautomycin | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
glaucarubinone | | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
glaucolide b | | carboxylic ester; ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
agrimophol | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate | | carbotricyclic compound; carboxylic ester; cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
valnemulin | | carbotricyclic compound; carboxylic ester; cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
colforsin daropate | | acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound | adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
kt 5720 | | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
azaserine | | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
transfluthrin | | carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tiamulin | | carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid | antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
orlistat | | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
mycophenolate mofetil | | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-o-caffeoylshikimic acid | | alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
metofluthrin | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
rosmarinic acid | | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-hexenylacetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
11-tetradecenyl acetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
crotoxyphos | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
resiniferatoxin | | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
bifenthrin | | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cefpodoxime proxetil | | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
fumagillin | | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
laulimalide | | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
retapamulin | | carbotricyclic compound; carboxylic ester; cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-Chloro-3-pyridinyl 2-furoate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
capsiate | | carboxylic ester; monomethoxybenzene; phenols | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
naproxen-n-butyl nitrate | | carboxylic ester; methoxynaphthalene; nitrate ester | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer | | carbotricyclic compound; carboxylic ester; cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
elloramycin | | alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin | antimicrobial agent; bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
vibrioferrin | | carboxylic ester; N-acyl hemiaminal; pyrrolidin-2-ones; tertiary alcohol; tricarboxylic acid | marine metabolite; siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
kalopanax saponin b | | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
batzelladine a | | alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene | anti-HIV-1 agent; metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tosedostat | | carboxylic ester; hydroxamic acid; secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-Bromopyridin-3-yl furan-2-carboxylate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
cauloside D | | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
n(alpha)-acetylfusarinines | | 2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol | siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
madecassoside | | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
integric acid | | carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid | HIV-1 integrase inhibitor; metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
jq1 compound | | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
crambescidin 800 | | alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound | anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
opt 80 | | carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols | antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
ap20187 | | aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound | ligand | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
s 8932 | | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tak 491 | | 1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane | angiotensin receptor antagonist; antihypertensive agent; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
dabigatran etexilate | | aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |