| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
n-carbamoyl-beta-alanine
N-carbamoyl-beta-alanine: RN given refers to parent cpd. N-carbamoyl-beta-alanine : A beta-alanine derivative that is propionic acid bearing a ureido group at position 3. | 2 | 1 | 0 | beta-alanine derivative | metabolite;
mouse metabolite |
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 1.99 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 1.99 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
gamma-guanidinobutyric acid
gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid. | 2.42 | 2 | 0 | guanidines;
monocarboxylic acid;
zwitterion | fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
creatine
[no description available] | 2 | 1 | 0 | glycine derivative;
guanidines;
zwitterion | geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical |
glycocyamine
glycocyamine: RN given refers to parent cpd; structure. guanidinoacetate : A monocarboxylic acid anion that is the conjugate base of guanidinoacetic acid, obtained by deprotonation of the carboxy group.. guanidinoacetic acid : The N-amidino derivative of glycine. | 2.42 | 2 | 0 | guanidinoacetic acids;
zwitterion | bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite |
4-aminobenzoic acid
4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. | 1.99 | 1 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
phenol
[no description available] | 2.08 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
acetazolamide
Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) | 2.08 | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
camostat
camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. | 2.38 | 2 | 0 | benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor |
cimetidine
Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. | 2.08 | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
cyclocreatine
cyclocreatine: structure given in first source | 2.02 | 1 | 0 | | |
gabexate
Gabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin. | 2.38 | 2 | 0 | benzoate ester | |
nafamostat
nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic | 2.91 | 4 | 0 | benzoic acids;
guanidines | |
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. | 1.98 | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
histidine
Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 2 | 1 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine. | 1.95 | 1 | 0 | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
isoleucine
Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine. | 1.95 | 1 | 0 | aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 2.42 | 2 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
3-aminobenzoic acid
3-aminobenzoic acid: RN given refers to parent cpd. 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. | 1.99 | 1 | 0 | aminobenzoic acid | |
3-hydroxybenzoic acid
3-hydroxybenzoic acid: RN given refers to parent cpd. 3-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. | 1.99 | 1 | 0 | monohydroxybenzoic acid | bacterial metabolite;
plant metabolite |
4-nitroacetanilide
[no description available] | 1.99 | 1 | 0 | | |
sulfacetamide
[no description available] | 1.99 | 1 | 0 | | |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.91 | 4 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
carzenide
[no description available] | 1.99 | 1 | 0 | sulfonamide | |
4-acetylbenzoic acid
4-acetylbenzoic acid: structure in first source | 1.99 | 1 | 0 | | |
3,5-diaminobenzoic acid
3,5-diaminobenzoic acid: RN given refers to parent cpd | 1.99 | 1 | 0 | | |
phenylguanidine
phenylguanidine: RN given refers to parent cpd | 1.97 | 1 | 0 | | |
acedoben
4-acetamidobenzoic acid : A amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4. | 1.99 | 1 | 0 | amidobenzoic acid | |
3-acetamidobenzoic acid
N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 1.99 | 1 | 0 | | |
2-deoxy-2,3-dehydro-n-acetylneuraminic acid
2-deoxy-2,3-dehydro-N-acetylneuraminic acid: also known as NeuAc2en, but this is also synonym for another compound. 2-deoxy-2,3-dehydro-N-acetylneuraminic acid : N-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2; it is a minor component of body fluids although abundant in sialuria. | 1.99 | 1 | 0 | N-acetylneuraminic acids | |
guanidinopropionic acid
guanidinopropionic acid: alters creatine metabolism; structure. 3-guanidinopropanoic acid : A guanidine compound bearing an N-(2-carboxyethyl) substituent. It is a creatine analogue that has been found to decreases plasma glucose levels | 2.42 | 2 | 0 | guanidines;
zwitterion | hypoglycemic agent |
guanidinoethane sulfonate
[no description available] | 2 | 1 | 0 | guanidines;
organosulfonic acid;
zwitterion | |
imidazoleacetic acid
imidazoleacetic acid: RN given refers to cpd without specific location of acetic acid attachment identified; structure. imidazol-5-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.. imidazol-4-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. | 2 | 1 | 0 | imidazoles;
monocarboxylic acid | metabolite;
mouse metabolite |
n-benzoyl-l-arginine
N-benzoyl-L-arginine: RM given refers to (l)-isomer; structure. N-benzoyl-L-arginine : An N-acyl-L-arginine that is L-arginine in which one of the hydrogens attached to the alpha-amino group has been replaced by a benzoyl group. | 2.08 | 1 | 0 | benzamides;
N-acyl-L-arginine | |
beta-guanidinobutyric acid
beta-guanidinobutyric acid: creatine antagonist | 2 | 1 | 0 | | |
benzoylarginine ethyl ester
benzoylarginine ethyl ester: used as substrate for trypsin; RN given refers to parent cpd | 2.08 | 1 | 0 | | |
foy 251
4-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate | 2.38 | 2 | 0 | | |
benzoyl l-arginine methyl ester
benzoyl L-arginine methyl ester: RN given refers to (L-Arg)-isomer | 2.08 | 1 | 0 | | |
delta-guanidinovaleric acid
delta-guanidinovaleric acid: isolated from human urine | 2.02 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
6-amidino-2-naphthol
6-amidino-2-naphthol: metabolite of FUT-187; structure given in first source | 2.91 | 4 | 0 | | |
n(alpha)-benzoylarginineamide
N(alpha)-benzoylarginineamide: RN given refers to parent cpd(S)-isomer | 2.08 | 1 | 0 | | |
bana 113
[no description available] | 1.99 | 1 | 0 | | |
bana-108
4-(acetylamino)-3-aminobenzoic acid: an aromatic inhibitor of influenza virus neuraminidase; structure given in first source | 1.99 | 1 | 0 | | |
2-(4-chlorophenyl)guanidine
[no description available] | 1.97 | 1 | 0 | organochlorine compound | |
3-(1H-imidazol-1-yl)propanoic acid
[no description available] | 2 | 1 | 0 | imidazolyl carboxylic acid | human urinary metabolite |
quercetin
[no description available] | 2.07 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
rutin
quercetin-3-O-rutinoside: structure in first source | 2.07 | 1 | 0 | flavonoids;
glycoside | |
m-chlorophenylguanidine
[no description available] | 1.97 | 1 | 0 | | |
trypsinogen
Trypsinogen: The inactive proenzyme of trypsin secreted by the pancreas, activated in the duodenum via cleavage by enteropeptidase. (Stedman, 25th ed) | 1.95 | 1 | 0 | | |