| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
phosphoglycolate
phosphoglycolate: RN given refers to parent acid. 2-phosphoglycolic acid : The O-phospho derivative of glycolic acid. | 2.01 | 1 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite;
mouse metabolite |
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.01 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
phenethylamine
phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position. | 2.01 | 1 | 0 | alkaloid;
aralkylamine;
phenylethylamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
benzamidine
benzamidine: RN given refers to parent cpd. benzamidine : A carboxamidine that is benzene carrying an amidino group. | 2.01 | 1 | 0 | benzenes;
carboxamidine | serine protease inhibitor |
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 3.48 | 2 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
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. | 2.01 | 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 |
xylitol
xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues. | 2.01 | 1 | 0 | | |
oleanolic acid
[no description available] | 2.46 | 2 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
3-phenylpropylamine
3-phenylpropylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group. | 2.01 | 1 | 0 | benzenes;
phenylalkylamine;
primary amino compound | |
1-deoxynojirimycin
1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2.01 | 1 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid | anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite |
nitroaniline
nitroaniline: RN given refers to cpd with unspecified locant for nitro moiety. nitroaniline : A substituted aniline that carries one or more nitro groups. | 2.01 | 1 | 0 | | |
nelfinavir
Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. | 2.07 | 1 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
abbott 77003
Abbott 77003: a symmetry-based inhibitor of HIV-1 protease | 2.01 | 1 | 0 | | |
amprenavir
[no description available] | 2.44 | 2 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
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. | 2.01 | 1 | 0 | N-acetylneuraminic acids | |
4-fluorobenzylamine
[no description available] | 2.01 | 1 | 0 | | |
brinzolamide
brinzolamide: an antiglaucoma agent | 2.01 | 1 | 0 | sulfonamide;
thienothiazine | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
a 74704
A 74704: structure given in first source | 3.07 | 1 | 0 | | |
a 76889
A 76889: backbone structure gvien in first source | 2.01 | 1 | 0 | | |
methanesulfonamide
[no description available] | 2.01 | 1 | 0 | | |
4-phenylbutylamine
4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase. 4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. | 2.01 | 1 | 0 | benzenes;
phenylalkylamine;
primary amino compound | |
6-phosphogluconic acid
gluconic acid-6-phosphate: structure. 6-phospho-D-gluconate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid.. 6-phospho-D-gluconic acid : A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway. | 2.01 | 1 | 0 | gluconic acid phosphate | fundamental metabolite |
lopinavir
[no description available] | 3.17 | 1 | 0 | amphetamines;
dicarboxylic acid diamide | anticoronaviral agent;
antiviral drug;
HIV protease inhibitor |
24-methylene cycloartanol
24-methylene cycloartanol: structure given in first source; RN given refers to 3beta-isomer; RN for compound without isomeric designation not avail 11/90. 24-methylenecycloartanol : A pentacyclic triterpenoid that is (9beta)-24-methylene-9,19-cyclolanostane which carries a hydroxy group at position 3beta. It is isolated from several plant species including Euphorbia, Epidendrum, Psychotria and Sideritis. | 2 | 1 | 0 | 3beta-hydroxy steroid;
pentacyclic triterpenoid | plant metabolite |
proanthocyanidin a2
procyanidin A2: structure in first source. proanthocyanidin A2 : A proanthocyanidin obtained by the condensation of (-)-epicatechin units. | 2 | 1 | 0 | hydroxyflavan;
proanthocyanidin | angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite |
methotrexate
[no description available] | 2.01 | 1 | 0 | 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 |
n-acetylseryl-leucyl-asparaginyl(phenylalanyl-hydroxyethylamino-prolyl)isoleucyl-valyl methyl ester
N-acetylseryl-leucyl-asparaginyl(phenylalanyl-hydroxyethylamino-prolyl)isoleucyl-valyl methyl ester: inhibitor of HIV Protease; structure given in first source; RN given is for (S-(R*,R*)) isomer | 2.4 | 2 | 0 | | |
h 142
H 142: decapeptide inhibitor of human renin; RN given refers to all L-isomer | 2.01 | 1 | 0 | | |
h 256
H 256: heptapeptide inhibitor of pepsin | 2.01 | 1 | 0 | | |
n-valyltryptophan
N-valyltryptophan: RN given refers to (L)-isomer | 2.01 | 1 | 0 | peptide | |
medioresinol
medioresinol: has both leishmanicidal and antifungal activities; isolated from Sambucus williamsii; structure in first source. (-)-medioresinol : A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. | 2.25 | 1 | 0 | dimethoxybenzene;
furofuran;
lignan;
polyphenol | plant metabolite |
cp 71362
[no description available] | 2.01 | 1 | 0 | | |
arabinose
[no description available] | 2.01 | 1 | 0 | L-arabinose | Escherichia coli metabolite;
mouse metabolite |
galactose
beta-D-galactose : A D-galactopyranose having beta-configuration at the anomeric centre.. beta-D-galactoside : Any D-galactoside having beta-configuration at its anomeric centre. | 2.01 | 1 | 0 | D-galactopyranose | epitope;
mouse metabolite |
saquinavir
Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. | 4.05 | 4 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
hinokinin
hinokinin: suppresses expression of both HBsAg and HBeAg. hinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). | 2.25 | 1 | 0 | benzodioxoles;
gamma-lactone;
lignan | trypanocidal drug |
skf 107457
SKF 107457: structure given in first source | 1.98 | 1 | 0 | | |
phosphoramidon
phosphoramidon: a membrane metallo-endopeptidase & endothelin-converting enzyme inhibitor; thermolysin inhibitor from culture filtrate of Streptomyces tanashiensis; structure. phosphoramidon : A dipeptide isolated from the cultures of Streptomyces tanashiensis. | 2.01 | 1 | 0 | deoxyaldohexose phosphate;
dipeptide | bacterial metabolite;
EC 3.4.24.11 (neprilysin) inhibitor;
EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 2.01 | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
phosphonoacetohydroxamate
phosphonoacetohydroxamic acid : The hydroxamate of phosphonoacetic acid. | 2.01 | 1 | 0 | hydroxamic acid;
organic phosphonate | |
tacrolimus
Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.. tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. | 2.01 | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
a 76928
A 76928: a diol with C2-symmetry | 2.01 | 1 | 0 | | |
xk 263
[no description available] | 2.43 | 2 | 0 | | |
phenylalanyl-prolyl-arginine
[no description available] | 2.01 | 1 | 0 | oligopeptide | |
mvt 101
[no description available] | 2.39 | 2 | 0 | | |
85548e
85548e: structure given in first source; RN given for (2S-(2R*,4R*,5R*))-isomer | 1.98 | 1 | 0 | | |
glycyllysine
glycyllysine: RN given refers to (L)-isomer. Gly-Lys : A dipeptide formed from glycine and L-lysine residues. | 2.01 | 1 | 0 | dipeptide | metabolite |
leucine hydroxamate
leucine hydroxamate: RN given refers to (S)-isomer | 2.01 | 1 | 0 | | |
cerulenin
Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. | 3.07 | 1 | 0 | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor |
indinavir sulfate
Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability. | 2.07 | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
l 685434
L 685434: structure given in first source; a pseudopeptide with activity against HIV protease | 3.07 | 1 | 0 | | |
pepstatin
pepstatin: inhibits the aspartic protease endothiapepsin | 3.78 | 3 | 0 | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor |
u 75875
U 75875: structure given in first source | 3.07 | 1 | 0 | | |
cp 81282
CP 81282: structure given in first source; inhibits human renin and endothiapepsin | 2.01 | 1 | 0 | | |
benzoyl-norleucyl-lysyl-arginyl-arginal
[no description available] | 2.04 | 1 | 0 | | |