3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group. [CHeBI]
| Synonym |
|---|
| PDSP2_000300 |
| PDSP1_000302 |
| i-ab-meca, solid |
| CHEMBL133566 , |
| chebi:73285 , |
| 5-[6-(4-amino-3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide |
| iab-meca |
| bdbm50106543 |
| n(6)-(4-amino-3-iodobenzyl)-adenosine-5'-n-methyluronamide |
| n(6)-(3-iodo-4-aminobenzyl)-adenosine-5'-n-methyluronamide |
| (2s,3s,4r,5r)-5-{6-[(4-amino-3-iodobenzyl)amino]-9h-purin-9-yl}-3,4-dihydroxy-n-methyltetrahydrofuran-2-carboxamide |
| 3-iodo-4-aminobenzyl-5'-n-methylcarboxamidoadenosine |
| 152918-27-9 |
| i-ab-meca |
| beta-d-ribofuranuronamide, 1-(6-(((4-amino-3-iodophenyl)methyl)amino)-9h-purin-9-yl)-1-deoxy-n-methyl- |
| 9wr19428j3 , |
| unii-9wr19428j3 |
| .beta.-d-ribofuranuronamide, 1-(6-(((4-amino-3-iodophenyl)methyl)amino)-9h-purin-9-yl)-1-deoxy-n-methyl- |
| DTXSID10165159 |
| J-008960 |
| NCGC00485570-01 |
| Q27140417 |
| i-ab-meca reference standard fo |
| (2s,3s,4r,5r)-5-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyloxolane-2-carboxamide |
| (2s,3s,4r,5r)-5-(6-((4-amino-3-iodobenzyl)amino)-9h-purin-9-yl)-3,4-dihydroxy-n-methyltetrahydrofuran-2-carboxamide |
| Assay ID | Title | Year | Journal | Article |
|---|
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID33939 | Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes | 1994 | Journal of medicinal chemistry, Oct-14, Volume: 37, Issue:21
ISSN: 0022-2623 | 2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors. |
| AID32513 | Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes | 1994 | Journal of medicinal chemistry, Oct-14, Volume: 37, Issue:21
ISSN: 0022-2623 | 2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors. |
| AID1819763 | Binding affinity to rat adenosine A3 receptor measured by radioligand binding assay | 2022 | ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875 | Selective A |
| AID229821 | Ratio of Ki for A1 and A3 receptors | 1994 | Journal of medicinal chemistry, Oct-14, Volume: 37, Issue:21
ISSN: 0022-2623 | 2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors. |
| AID34704 | Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells | 2001 | Journal of medicinal chemistry, Nov-22, Volume: 44, Issue:24
ISSN: 0022-2623 | Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides. |
| AID32878 | Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 from rat striatal membranes at 10e-4 M | 1998 | Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
ISSN: 0022-2623 | Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. |
| AID33341 | Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-5''-N-methyluronamide) | 1994 | Journal of medicinal chemistry, Mar-04, Volume: 37, Issue:5
ISSN: 0022-2623 | Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. |
| AID34581 | Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells | 2001 | Journal of medicinal chemistry, Nov-22, Volume: 44, Issue:24
ISSN: 0022-2623 | Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides. |
| AID231119 | Ratio of binding affinities for A2 receptor compared to that of A3 receptor | 1994 | Journal of medicinal chemistry, Mar-04, Volume: 37, Issue:5
ISSN: 0022-2623 | Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. |
| AID230000 | Ratio of Ki for A2a and A3 receptors | 1994 | Journal of medicinal chemistry, Oct-14, Volume: 37, Issue:21
ISSN: 0022-2623 | 2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors. |
| AID32021 | Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined | 1994 | Journal of medicinal chemistry, Mar-04, Volume: 37, Issue:5
ISSN: 0022-2623 | Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. |
| AID1819796 | Binding affinity to human adenosine A3 receptor measured by radioligand binding assay | 2022 | ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4
ISSN: 1948-5875 | Selective A |
| AID33485 | Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO cells transfected with rat A3-cDNA | 1994 | Journal of medicinal chemistry, Oct-14, Volume: 37, Issue:21
ISSN: 0022-2623 | 2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors. |
| AID231118 | Ratio of binding affinities for A1 receptor compared to that of A3 receptor | 1994 | Journal of medicinal chemistry, Mar-04, Volume: 37, Issue:5
ISSN: 0022-2623 | Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. |
| AID33569 | Binding affinity for A2-adenosine receptor by the displacement of specific [3H]-CGS- binding in rat striatal membranes was determined | 1994 | Journal of medicinal chemistry, Mar-04, Volume: 37, Issue:5
ISSN: 0022-2623 | Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. |
| AID34723 | Displacement of [125I]AB-MECA from adenosine A3 receptor from HEK293 cell membranes | 1998 | Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
ISSN: 0022-2623 | Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. |
| AID32188 | Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat brain membranes at 10e-4 M | 1998 | Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
ISSN: 0022-2623 | Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| puromycin aminonucleoside | | 3'-deoxyribonucleoside;
adenosines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cordycepin | | 3'-deoxyribonucleoside;
adenosines | antimetabolite;
nucleoside antibiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-fluoroadenosine | | adenosines;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dideoxyadenosine | | adenosines;
purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine | | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sinefungin | | adenosines;
non-proteinogenic alpha-amino acid | antifungal agent;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nucleocidin | | 6-aminopurines;
adenosines;
diol;
organofluorine compound;
sulfamate ester | antibacterial agent;
bacterial metabolite;
nucleoside antibiotic;
protein synthesis inhibitor;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-o-methyladenosine | | adenosines;
ether | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofarabine | | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-adenosylhomocysteine | | adenosines;
amino acid zwitterion;
homocysteine derivative;
homocysteines;
organic sulfide | cofactor;
EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor;
EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor;
epitope;
fundamental metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5'-deoxyadenosine | | 5'-deoxyribonucleoside;
adenosines | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-adenosyl-3-methylthiopropylamine | | adenosines;
sulfonium compound | Escherichia coli metabolite;
human urinary metabolite;
mouse metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-carboxaldehyde | | adenosines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxy-2-fluoroadenosine | | adenosines;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-(n-ethylcarboxamide) | | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-(N-propyl)carboxamide | | adenosines;
monocarboxylic acid amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | | adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid | adenosine A2A receptor agonist;
anti-inflammatory agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5'-chloro-5'-deoxyadenosine | | adenosines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| succinyladenosine | | adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-iodo-2,5-dimethoxyphenylisopropylamine | | amphetamines;
dimethoxybenzene;
organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-iodo-2-(oxaloamino)benzoic acid | | organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| am 251 | | amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles | antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diatrizoic acid | | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amiodarone | | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clioquinol | | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodamide | | benzoic acids;
organoiodine compound | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodixanol | | organoiodine compound | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodoquinol | | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iohexol | | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iomeprol | | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iopromide | | dicarboxylic acid diamide;
organoiodine compound | environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodipamide | | benzoic acids;
organoiodine compound;
secondary carboxamide | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ioxaglate | | benzenedicarboxamide;
benzoic acids;
organoiodine compound | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml 7 | | N-sulfonyldiazepane;
organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodoacetic acid | | haloacetic acid;
organoiodine compound | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| idoxuridine | | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3,5-triiodobenzoic acid | | benzoic acids;
organoiodine compound | antiauxins | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodohippuric acid | | benzamides;
N-acylglycine;
organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrohydroxyiodophenylacetate | | 2-nitrophenols;
organoiodine compound;
phenylacetic acids | antigen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ioxitalamic acid | | acetamides;
benzoic acids;
dicarboxylic acid monoamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| closantel | | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-iodobenzylguanidine | | organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-iodo-2-propynylbutylcarbamate | | acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound | antifungal agrochemical;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iopamidol | | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iobitridol | | benzenedicarboxamide;
hexol;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-iodosobenzoic acid | | benzoic acids;
organoiodine compound | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-iodouracil | | organoiodine compound | antimetabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-iodopyrazole | | organoiodine compound;
pyrazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-iodotubercidin | | organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-deoxy-4'-iododoxorubicin | | organoiodine compound;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-diiodothyropropionic acid | | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-iodoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl | | aminoxyls;
organoiodine compound;
pyrrolidinecarboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-iodo-6-phenylpyrimidine | | biaryl;
organoiodine compound;
pyrimidines | antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide | | aminoxyls;
organoiodine compound;
piperidinecarboxamide;
secondary carboxamide | radical scavenger;
spin label | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triptorelin | | organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | | organoiodine compound;
phenols;
tertiary amino compound;
tetralins | dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 0325901 | | difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound | antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 150606 | | cinnamic acids;
organoiodine compound;
thioenol | apoptosis inhibitor;
calpain inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| am 694 | | aromatic ketone;
indoles;
organofluorine compound;
organoiodine compound;
synthetic cannabinoid | cannabinoid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trametinib | | acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdc-0973 | | aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium diatrizoate | | organic sodium salt;
organoiodine compound | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GDC-0623 | | hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| calicheamicin gamma(1)i | | calicheamicin;
enediyne antibiotic;
organoiodine compound | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetamide | | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indoleacetamide | | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydrolipoamide | | dithiol;
monocarboxylic acid amide | cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formamide | | carboximidic acid;
formamides;
monocarboxylic acid amide;
one-carbon compound | solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lipoamide | | dithiolanes;
monocarboxylic acid amide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrazinamide | | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| urea | | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pk 11195 | | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(n,n-hexamethylene)amiloride | | aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines | antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylisopropylamiloride | | aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound | anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acebutolol | | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetazolamide | | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetochlor | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alachlor | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfuzosin | | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ampiroxicam | | acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide | analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atenolol | | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzquinamide | | monocarboxylic acid amide | antiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bicalutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carcinine | | beta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound | antioxidant;
crustacean metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dacarbazine | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibucaine | | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethoate | | monocarboxylic acid amide;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disopyramide | | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etanidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fentanyl | | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flecainide | | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glipizide | | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lidocaine | | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leflunomide | | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| qx-314 | | monocarboxylic acid amide | local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| modafinil | | monocarboxylic acid amide;
sulfoxide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deet | | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipamperone | | aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prazosin | | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prilocaine | | amino acid amide;
monocarboxylic acid amide | anticonvulsant;
local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propachlor | | anilide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbamylhydrazine | | carbohydrazide;
monocarboxylic acid amide;
one-carbon compound;
ureas | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| temozolomide | | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lysergic acid diethylamide | | ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound | dopamine agonist;
hallucinogen;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propionamide | | monocarboxylic acid amide;
primary fatty amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylacetamide | | acetamides;
monocarboxylic acid amide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenylacetamide | | monocarboxylic acid amide | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-aminonicotinamide | | aminopyridine;
monocarboxylic acid amide;
primary amino compound | antimetabolite;
EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminoimidazole carboxamide | | aminoimidazole;
monocarboxylic acid amide | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valeramide | | monocarboxylic acid amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| devrinol | | aromatic ether;
monocarboxylic acid amide;
naphthalenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamphenicol | | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lisuride | | monocarboxylic acid amide | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethylacetamide | | acetamides;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzonidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | antiprotozoal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methyl-n-(trimethylsilyl)trifluoroacetamide | | monocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide | chromatographic reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tocainide | | monocarboxylic acid amide | anti-arrhythmia drug;
local anaesthetic;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bezafibrate | | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfentanil | | monocarboxylic acid amide;
piperidines | central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ranolazine | | aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| remifentanil | | alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester | intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valsartan | | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methylfentanyl | | monocarboxylic acid amide;
piperidines | mu-opioid receptor agonist;
opioid analgesic;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-fluorofentanyl | | monocarboxylic acid amide;
organofluorine compound;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2,4-triazole-3-carboxamide | | aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
triazoles | drug metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aloxistatin | | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylacetylglycine | | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandelamide | | benzyl alcohols;
monocarboxylic acid amide;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-methyl-1-triazeno)imidazole-4-carboxamide | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biocytin | | azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biotinamide | | biotins;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lactamide | | monocarboxylic acid amide;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-diphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose monophosphate | antiviral agent;
drug metabolite;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
human blood serum metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| difenpiramide | | biphenyls;
monocarboxylic acid amide;
pyridines | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u 69593 | | monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound | anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenazine-1-carboxamide | | aromatic amide;
monocarboxylic acid amide;
phenazines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-triphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate | antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-carbamoylimidazolium 5-olate | | hydroxyimidazole;
monocarboxylic acid amide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-diphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate | antiviral agent;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methotrexate | | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dexpanthenol | | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cercosporamide | | dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol | antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclazosin | | aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative | adenosine A2A receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nepafenac | | monocarboxylic acid amide | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rp 73401 | | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | | anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols | antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norfentanyl | | anilide;
monocarboxylic acid amide;
piperidines | drug metabolite;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rocaglamide | | monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound | antileishmanial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taurolithocholic acid | | bile acid taurine conjugate;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ochratoxin a | | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ergonovine | | ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | diagnostic agent;
fungal metabolite;
oxytocic;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| darifenacin | | 1-benzofurans;
monocarboxylic acid amide;
pyrrolidines | antispasmodic drug;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiazofurin | | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucuronamide | | monocarboxylic acid amide;
monosaccharide derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide | | monocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide | chromatographic reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide | | anilide fungicide;
monocarboxylic acid amide;
monochlorobenzenes;
organosulfur compound;
thiadiazoles | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lincomycin | | carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u-50488 | | dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine | analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-octylhomovanillamide | | guaiacols;
monocarboxylic acid amide | protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dasatinib | | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ex 527 | | carbazoles;
monocarboxylic acid amide;
organochlorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entacapone | | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulenin | | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fortimicin a | | amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenretinide | | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bimatoprost | | monocarboxylic acid amide | antiglaucoma drug;
antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ag-490 | | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 11248 | | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monocrotophos | | alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 685458 | | carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aliskiren | | monocarboxylic acid amide;
monomethoxybenzene | antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 1498 | | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | | enoate ester;
methyl ester;
monocarboxylic acid amide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ekb 569 | | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| netupitant | | aminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes | antiemetic;
neurokinin-1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide | | (trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methyl-d-lysergic acid butanolamide | | ergot alkaloid;
monocarboxylic acid amide | serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platensimycin | | aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vilazodone | | 1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile | antidepressant;
serotonergic agonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-demethylloperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lenvatinib | | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avibactam | | azabicycloalkane;
hydroxylamine O-sulfonic acid;
monocarboxylic acid amide;
ureas | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mirabegron | | 1,3-thiazoles;
aromatic amide;
ethanolamines;
monocarboxylic acid amide | beta-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avanafil | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound;
prolinols;
pyrimidines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rivaroxaban | | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selexipag | | aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound | orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly-2157299 | | aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines | antineoplastic agent;
TGFbeta receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SIS3 free base | | aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide | Smad3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bl1521 | | enamide;
hydroxamic acid;
monocarboxylic acid amide | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tasimelteon | | 1-benzofurans;
cyclopropanes;
monocarboxylic acid amide | melatonin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| edoxaban | | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 901464 | | acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 477118 | | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandipropamid | | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 60-6583 | | aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide | adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vx-770 | | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platencin | | aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tenovin-6 | | monocarboxylic acid amide;
tertiary amino compound;
thioureas | antineoplastic agent;
p53 activator;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bacillaene | | enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cobicistat | | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazaindolizine | | aromatic amide;
imidazopyridine;
monocarboxylic acid amide;
monochlorobenzenes;
monomethoxybenzene;
N-sulfonylcarboxamide;
organofluorine pesticide | agrochemical;
nematicide | 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 |
| novobiocin | | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piroxicam | | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mobic | | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mobiflex | | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
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 |
| isoxicam | | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lornoxicam | | heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptolydigin | | bridged compound;
cyclic ketal;
enol;
monocarboxylic acid amide;
N-glycosyl compound;
organic heterobicyclic compound;
pyrrolidinone;
spiro-epoxide | antimicrobial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk1265744 | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dolutegravir | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide | | aromatic amide;
monocarboxylic acid amide;
organofluorine compound;
pyrazoles;
trichlorobenzene | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| HG-10-102-01 | | aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bictegravir | | monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ver 52296 | | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |