| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
9-ethyladenine
[no description available] | 1.97 | 1 | 0 | | |
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.13 | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
adenine
[no description available] | 2.05 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
4-nitrophenylphosphate
nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. | 3.14 | 1 | 0 | aryl phosphate | mouse metabolite |
purine
1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine. | 1.97 | 1 | 0 | purine | |
1-(1-naphthyl)piperazine
1-(1-naphthyl)piperazine: serotonin agonist; structure given in first source | 2.25 | 1 | 0 | N-arylpiperazine | |
n-(3-(aminomethyl)benzyl)acetamidine
N-(3-(aminomethyl)benzyl)acetamidine: structure in first source. N-[3-(aminomethyl)benzyl]acetamidine : An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase. | 3.14 | 1 | 0 | aralkylamine;
carboxamidine;
primary amino compound | angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector |
2-amino-4-picoline
2-amino-4-picoline: RN given refers to parent cpd | 2 | 1 | 0 | | |
3-aminobenzamide
[no description available] | 2.02 | 1 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
4-aminobenzamidine
4-aminobenzamidine: a urokinase inhibitor; inhibits acrosin; structure given in first source | 2.02 | 1 | 0 | | |
4-iodine-benzo(b)thiophene-2-carboxamidine
[no description available] | 2.05 | 1 | 0 | | |
5-fluoroindole-2-carboxylic acid
5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist | 2.13 | 1 | 0 | indolyl carboxylic acid | |
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.02 | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
pimagedine
pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide. | 2 | 1 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
benzamide
benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 2.13 | 1 | 0 | benzamides | |
benzamidine
benzamidine: RN given refers to parent cpd. benzamidine : A carboxamidine that is benzene carrying an amidino group. | 7.41 | 2 | 0 | benzenes;
carboxamidine | serine protease inhibitor |
benzophenone
benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | 2.6 | 1 | 0 | benzophenones | photosensitizing agent;
plant metabolite |
n(6),n(6)-dimethyladenine
N(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups. | 1.97 | 1 | 0 | tertiary amine | |
ebselen
ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. | 2.25 | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide
N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation | 2 | 1 | 0 | | |
1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
[no description available] | 1.97 | 1 | 0 | pyrazoles;
ring assembly | |
quipazine
Quipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic. | 2.25 | 1 | 0 | piperazines;
pyridines | |
raloxifene
raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 3.14 | 1 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
sulfadiazine
Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines. | 3.14 | 1 | 0 | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
sq 22536
9-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor. | 1.97 | 1 | 0 | nucleoside analogue;
oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
guanidine hydrochloride
[no description available] | 2.1 | 1 | 0 | one-carbon compound;
organic chloride salt | protein denaturant |
adenosine diphosphate
Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | 1.97 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | fundamental metabolite;
human metabolite |
carbostyril
Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. | 2.48 | 2 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
adenosine monophosphate
Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | 1.97 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
quinoline
[no description available] | 2.48 | 2 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
2-naphthylamine
2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2. | 2.48 | 2 | 0 | naphthylamine | carcinogenic agent |
2-methylquinoline
2-methylquinoline: RN given refers to parent cpd. methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.. quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group. | 2.25 | 1 | 0 | quinolines | |
2-aminopyrimidine
pyrimidin-2-amine : An aminopyrimidine carrying an amino group at position 2.. aminopyrimidine : A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. | 2.77 | 3 | 0 | aminopyrimidine | |
n,n,n',n'-tetramethylethylenediamine
N,N,N',N'-tetramethylethylenediamine: RN given refers to parent cpd; structure. N,N,N',N'-tetramethylethylenediamine : An ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation. | 1.96 | 1 | 0 | ethylenediamine derivative | catalyst;
chelator |
2-aminobenzothiazole
[no description available] | 2.48 | 2 | 0 | benzothiazoles | |
2-aminopurine
2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).. aminopurine : Any purine having at least one amino substituent.. 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. | 1.97 | 1 | 0 | 2-aminopurines;
nucleobase analogue | antimetabolite |
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | 3.12 | 5 | 0 | | |
8-aminoquinoline
[no description available] | 2.25 | 1 | 0 | | |
6-aminoquinoline
[no description available] | 2.52 | 2 | 0 | | |
1,2-Dihydroquinolin-2-imine
[no description available] | 2.95 | 4 | 0 | aminoquinoline | |
5-aminoquinoline
[no description available] | 2.25 | 1 | 0 | | |
2-aminobenzimidazole
2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd. 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. | 2.46 | 2 | 0 | benzimidazoles | marine xenobiotic metabolite |
2-amino-3-methylpyridine
2-amino-3-methylpyridine: structure in first source | 2 | 1 | 0 | | |
amiloride
Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. | 2.05 | 1 | 0 | aromatic amine;
guanidines;
organochlorine compound;
pyrazines | diuretic;
sodium channel blocker |
4,5-dichlorocatechol
[no description available] | 2.13 | 1 | 0 | | |
9-benzyladenine
[no description available] | 1.97 | 1 | 0 | | |
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.06 | 1 | 0 | cobalt group element atom | |
ruthenium
Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM. | 2.1 | 1 | 0 | iron group element atom;
platinum group metal atom | |
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 7.08 | 1 | 0 | copper group element atom;
elemental gold | |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.08 | 1 | 0 | benzenes;
phenyl acetates | |
2-aminotetralin
2-aminotetralin: RN given refers to parent cpd without isomeric designation; structure | 2.05 | 1 | 0 | tetralins | |
dexibuprofen
dexibuprofen: structure in first source | 3.14 | 1 | 0 | ibuprofen | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
3-carboxy-thioxanthone-10,10-dioxide
[no description available] | 2.05 | 1 | 0 | | |
doxantrazole
doxantrazole: structure | 2.05 | 1 | 0 | | |
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 1.97 | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
benzylaminopurine
benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 1.97 | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
trifluoromethanesulfonic acid
trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. | 2.48 | 2 | 0 | one-carbon compound;
perfluoroalkanesulfonic acid | |
2,4-diaminoquinazoline
[no description available] | 2.46 | 2 | 0 | | |
5,6,7,8-tetrahydro-1-naphthol
5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8. | 3.14 | 1 | 0 | tetralins | |
4-aminoquinoline
[no description available] | 2.25 | 1 | 0 | | |
4-aminopyrimidine
[no description available] | 1.97 | 1 | 0 | aminopyrimidine | |
4-hydroxyquinoline
4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. | 2.44 | 2 | 0 | monohydroxyquinoline;
quinolone | |
9-methyladenine
9-methyladenine : Adenine substituted with a methyl group at position N-9. | 1.97 | 1 | 0 | methyladenine | metabolite |
1-(4-pyridyl)piperazine
1-(4-pyridyl)piperazine: structure in first source | 2.25 | 1 | 0 | | |
6-methoxypurine
6-methoxypurine: structure in first source | 1.97 | 1 | 0 | | |
7-methyladenine
7-methyladenine: potential marker for monitoring exposure to methylatingcarcinogens. 7-methyladenine : Adenine substituted with a methyl group at position N-7. | 1.97 | 1 | 0 | methyladenine | metabolite |
2-amino-1-methylbenzimidazole
2-amino-1-methylbenzimidazole: structure in first source | 2.44 | 2 | 0 | benzimidazoles | |
4-aminopyrazolo(3,4-d)pyrimidine
4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma | 1.97 | 1 | 0 | | |
4-amino-2-methylquinoline
4-amino-2-methylquinoline: used to induce miniature endplate potentials | 2.25 | 1 | 0 | | |
4-aminoquinazoline
4-aminoquinazoline: structure in first source | 1.97 | 1 | 0 | | |
cyanates
Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). | 7.1 | 1 | 0 | | |
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline: potent reversible inhibitor of phenylethanolamine N-methyltransferase; structure. 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline : A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions. | 3.14 | 1 | 0 | isoquinolines;
organochlorine compound | |
omega-n-methylarginine
omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent. | 2 | 1 | 0 | amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid | |
aminoimidazole ribotide
5-amino-1-(5-phospho-beta-D-ribosyl)imidazole : A 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group. | 2.13 | 1 | 0 | 1-(phosphoribosyl)imidazole;
aminoimidazole | bacterial metabolite |
beta-naphthamidine
beta-naphthamidine: RN given refers to parent cpd | 2.05 | 1 | 0 | | |
1-(1-phenylcyclopentyl)methylamine
[no description available] | 3.14 | 1 | 0 | cyclopentanes;
primary aliphatic amine | |
3-deazaadenine
[no description available] | 1.97 | 1 | 0 | | |
valine-pyrrolidide
valine-pyrrolidide: structure given in first source | 3.14 | 1 | 0 | | |
ammonium acetate
ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU. | 7.08 | 1 | 0 | acetate salt;
ammonium salt | buffer;
food acidity regulator |
n(6)-(1-iminoethyl)lysine
N(6)-acetimidoyl-L-lysine : An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by an acetimidoyl group | 2 | 1 | 0 | L-lysine derivative;
non-proteinogenic L-alpha-amino acid | |
6-methylpurine
6-methylpurine : Purine bearing a methyl substituent at position 6. | 1.97 | 1 | 0 | purines | EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
6-chloropurine
[no description available] | 2.05 | 1 | 0 | purines | |
a-317567
A-317567: acid sensing ion channel blocker; structure in first source | 2.05 | 1 | 0 | | |
navitoclax
[no description available] | 3.14 | 1 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
piperidines
Piperidines: A family of hexahydropyridines. | 2 | 1 | 0 | | |
1-methyladenine
1-methyladenine : Adenine substituted with a methyl group at position N-1. | 1.97 | 1 | 0 | | |
3-methyladenine
N3-methyladenine: structure in first source | 1.97 | 1 | 0 | | |