Compounds > psi 697
Page last updated: 2024-11-12

psi 697

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Description

2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID12004316
CHEMBL ID219046
SCHEMBL ID43527
MeSH IDM0507324

Synonyms (25)

Synonym
CHEMBL219046 ,
psi-697
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-benzo[h]-quinoline-4-carboxylic acid
bdbm50201984
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(h)quinoline-4-carboxylic acid
lh1xc916me ,
unii-lh1xc916me
psi 697
psi697
851546-61-7
SCHEMBL43527
benzo(h)quinoline-4-carboxylic acid, 2-((4-chlorophenyl)methyl)-7,8,9,10-tetrahydro-3-hydroxy-
HY-15526
CS-5867
DIEPFYNZGUUVHD-UHFFFAOYSA-N
2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-benzo[h]quinoline-4-carboxylic acid
DB12211
AKOS032945074
p-selectin inhibitor
Q27282982
F85434
MS-25891
2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
BJB54661

Research Excerpts

Pharmacokinetics

ExcerptReferenceRelevance
" This resulted in discovery of PSI-421 with marked improvement in aqueous solubility and pharmacokinetic properties."( Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
Bedard, PW; Clerin, V; Di, L; Huang, A; Janz, K; Kaila, N; Keith, JC; Lowe, M; Moretto, A; Schaub, RG; Shaw, GD; Sushkova, N; Tam, S; Tchernychev, B; Tsao, DH; Wang, Q, 2010)		0.36

Bioavailability

ExcerptReferenceRelevance
" However, its oral bioavailability was low."( Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
Bedard, PW; Clerin, V; Di, L; Huang, A; Janz, K; Kaila, N; Keith, JC; Lowe, M; Moretto, A; Schaub, RG; Shaw, GD; Sushkova, N; Tam, S; Tchernychev, B; Tsao, DH; Wang, Q, 2010)		0.36
"Many lead compounds fail to reach clinical trials despite being potent because of low bioavailability attributed to their insufficient solubility making solubility a primary and crucial factor in early phase drug discovery."( Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
Baidya, ATK; Das, B; Kumar, R; Mathew, AT; Yadav, AK, 2022)		0.72
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
P-selectinHomo sapiens (human)IC50 (µMol)137.50005.00005.00005.0000AID1866053; AID275295
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (19)

Processvia Protein(s)Taxonomy
positive regulation of leukocyte migrationP-selectinHomo sapiens (human)
inflammatory responseP-selectinHomo sapiens (human)
cell adhesionP-selectinHomo sapiens (human)
leukocyte cell-cell adhesionP-selectinHomo sapiens (human)
positive regulation of platelet activationP-selectinHomo sapiens (human)
calcium-dependent cell-cell adhesion via plasma membrane cell adhesion moleculesP-selectinHomo sapiens (human)
response to lipopolysaccharideP-selectinHomo sapiens (human)
regulation of integrin activationP-selectinHomo sapiens (human)
defense response to Gram-negative bacteriumP-selectinHomo sapiens (human)
leukocyte tethering or rollingP-selectinHomo sapiens (human)
positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transductionP-selectinHomo sapiens (human)
cell-cell adhesionP-selectinHomo sapiens (human)
positive regulation of leukocyte tethering or rollingP-selectinHomo sapiens (human)
response to cytokineP-selectinHomo sapiens (human)
heterophilic cell-cell adhesion via plasma membrane cell adhesion moleculesP-selectinHomo sapiens (human)
cellular response to interleukin-6P-selectin glycoprotein ligand 1Homo sapiens (human)
cell adhesionP-selectin glycoprotein ligand 1Homo sapiens (human)
symbiont entry into host cellP-selectin glycoprotein ligand 1Homo sapiens (human)
leukocyte migrationP-selectin glycoprotein ligand 1Homo sapiens (human)
leukocyte tethering or rollingP-selectin glycoprotein ligand 1Homo sapiens (human)
leukocyte adhesive activationP-selectin glycoprotein ligand 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
lipopolysaccharide bindingP-selectinHomo sapiens (human)
integrin bindingP-selectinHomo sapiens (human)
calcium ion bindingP-selectinHomo sapiens (human)
protein bindingP-selectinHomo sapiens (human)
heparin bindingP-selectinHomo sapiens (human)
sialic acid bindingP-selectinHomo sapiens (human)
fucose bindingP-selectinHomo sapiens (human)
glycosphingolipid bindingP-selectinHomo sapiens (human)
calcium-dependent protein bindingP-selectinHomo sapiens (human)
oligosaccharide bindingP-selectinHomo sapiens (human)
virus receptor activityP-selectin glycoprotein ligand 1Homo sapiens (human)
signaling receptor bindingP-selectin glycoprotein ligand 1Homo sapiens (human)
protein bindingP-selectin glycoprotein ligand 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Processvia Protein(s)Taxonomy
extracellular spaceP-selectinHomo sapiens (human)
plasma membraneP-selectinHomo sapiens (human)
external side of plasma membraneP-selectinHomo sapiens (human)
platelet dense granule membraneP-selectinHomo sapiens (human)
platelet alpha granule membraneP-selectinHomo sapiens (human)
extracellular spaceP-selectinHomo sapiens (human)
external side of plasma membraneP-selectinHomo sapiens (human)
uropodP-selectin glycoprotein ligand 1Homo sapiens (human)
plasma membraneP-selectin glycoprotein ligand 1Homo sapiens (human)
membraneP-selectin glycoprotein ligand 1Homo sapiens (human)
plasma membrane raftP-selectin glycoprotein ligand 1Homo sapiens (human)
plasma membraneP-selectin glycoprotein ligand 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (35)

Assay IDTitleYearJournalArticle
AID499863Dose normalized AUC in cynomolgus monkey measured per mg of plasma at 5 mg/kg, iv and po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID1866020Thermodynamic aqueous solubility of the compound2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID499852Half life in cynomolgus monkey liver microsomes2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499856Clearance in C57B6 mouse at 2 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499718Clearance in Sprague-Dawley rat at 3 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275302Bioavailability in C57 mouse2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID499859Clearance in Beagle dog at 2 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID1866053Inhibition of P-selectin (unknown origin)2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID499862Clearance in cynomolgus monkey at 5 mg/kg, iv and po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499716Inhibition of recombinant PSGL-1 by surface plasmon resonance assay2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499712Aqueous solubility of the compound at pH 6.62010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499770Half life in Sprague-Dawley rat liver microsomes2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275300AUC in Beagle dog2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID499853Half life in C57B6 mouse liver microsomes2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499851Half life in Beagle dog liver microsomes2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275298AUC in Sprague-Dawley rat2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID275303Oral bioavailability in Beagle dog at 15 mg/kg2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID275295Inhibition of P-Selectin by Biacore assay2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID499861Oral bioavailability in cynomolgus monkey at 5 mg/kg2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499857Dose normalized AUC in C57B6 mouse measured per mg of plasma at 2 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499714Aqueous solubility of the compound at pH 92010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499713Aqueous solubility of the compound at pH 7.42010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275301Bioavailability in Sprague-Dawley rat2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID275299AUC in C57 mouse2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID499710Aqueous solubility of the compound at pH 12010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499854Half life in human liver microsomes2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499719Dose normalized AUC in Sprague-Dawley rat measured per mg of plasma at 3 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499860Dose normalized AUC in Beagle dog measured per mg of plasma at 2 mg/kg, iv and 10 mg/kg, po2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275307Inhibition of neointimal hyperplasia in Sprague-Dawley rat carotid ballon injury model at 30 mg/kg, po2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID275308Inhibition of aortic lesion in apo E -/- mouse model at 100 mg/kg2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
AID499855Oral bioavailability in C57B6 mouse at 10 mg/kg2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499711Aqueous solubility of the compound at pH 4.52010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499858Oral bioavailability in Beagle dog at 10 mg/kg2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID499717Oral bioavailability in Sprague-Dawley rat at 10 mg/kg2010Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.
AID275306Inhibition of leukocyte rolling in mouse at 50 mg/kg, po2007Journal of medicinal chemistry, Jan-11, Volume: 50, Issue:1
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's5 (50.00)29.6817
2010's4 (40.00)24.3611
2020's1 (10.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 19.64

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index19.64 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.49 (4.65)
Search Engine Demand Index15.26 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (19.64)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (10.00%)5.53%
Reviews2 (20.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other7 (70.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
dalteparin
Dalteparin: A low-molecular-weight fragment of heparin, prepared by nitrous acid depolymerization of porcine mucosal heparin. The mean molecular weight is 4000-6000 daltons. It is used therapeutically as an antithrombotic agent. (From Merck Index, 11th ed)		2.0310
phenytoin
[no description available]		3.5110imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		3.5110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.		3.5110benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.		3.5110aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.		3.5110phthalimides;
piperidones
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.		2.0510amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
oxycinchophen
[no description available]		2.0310quinolines
tirofiban
Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.. tirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.		2.0510L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline: structure given in first source		3.5110
etravirine
[no description available]		3.5110aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
linezolid
[no description available]		3.5110acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
antofine
antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities.		3.5110alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
ac 55649
4'-octyl-4-biphenylcarboxylic acid: an RAR beta2 agonist; structure in first source		3.5110biphenyls;
carboxybiphenyl
diosmin
[no description available]		3.5110dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
oridonin
[no description available]		3.5110cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
rilpivirine
[no description available]		3.5110aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
bimosiamose
bimosiamose: a selectin inhibitor		2.0510
a 286982
A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source		3.5110
SIS3 free base
SIS3 free base : An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.		3.5110aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
bms-585248
[no description available]		3.5110
tedizolid
DA 7157: an anti-infective agent; structure in first source. tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
bms-626529
[no description available]		3.5110
bms-663068
fostemsavir: an HIV-1 attachment inhibitor; structure in first source		3.5110
tedizolid phosphate
tedizolid phosphate: a prodrug of DA-7157; structure in first source. tedizolid phosphate : A phosphate monoester resulting from the formal condensation of equimolar amounts of phosphoric acid with the hydroxy group of tedizolid . It is a prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
amg 517
[no description available]		3.5110
azd1283
[no description available]		3.5110
chiniofon
Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.		6.9681
glycolipids
[no description available]		3.1910
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine
[no description available]		3.5110indoles
salicylates
Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.		2.0310monohydroxybenzoateplant metabolite
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1h)-one
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one: an antimalarial; structure in first source		3.5110
gs-9973
[no description available]		3.5110
ddd107498
DDD107498: has antimalarial activity; structure in first source		3.5110
ConditionIndicatedRelationship StrengthStudiesTrials
Atherogenesis
[description not available]		02.0310
Carotid Artery Narrowing
[description not available]		02.0310
Carotid Stenosis
Narrowing or stricture of any part of the CAROTID ARTERIES, most often due to atherosclerotic plaque formation. Ulcerations may form in atherosclerotic plaques and induce THROMBUS formation. Platelet or cholesterol emboli may arise from stenotic carotid lesions and induce a TRANSIENT ISCHEMIC ATTACK; CEREBROVASCULAR ACCIDENT; or temporary blindness (AMAUROSIS FUGAX). (From Adams et al., Principles of Neurology, 6th ed, pp 822-3)		02.0310
Atherosclerosis
A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.		02.0310
Carotid Arteriopathies, Traumatic
[description not available]		02.0510
Deep Vein Thrombosis
[description not available]		03.8740
Venous Thrombosis
The formation or presence of a blood clot (THROMBUS) within a vein.		03.8740
HbS Disease
[description not available]		03.0110
Anemia, Sickle Cell
A disease characterized by chronic hemolytic anemia, episodic painful crises, and pathologic involvement of many organs. It is the clinical expression of homozygosity for hemoglobin S.		03.0110
Blood Clot
[description not available]		02.0510
Thrombosis
Formation and development of a thrombus or blood clot in the blood vessel.		02.0510
Constriction, Pathological
[description not available]		02.0310
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		03.6430
Cirrhosis
[description not available]		02.0310
Constriction, Pathologic
The condition of an anatomical structure's being constricted beyond normal dimensions.		02.0310
Fibrosis
Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.		02.0310
Angiitis
[description not available]		02.0410
Vasculitis
Inflammation of any one of the blood vessels, including the ARTERIES; VEINS; and rest of the vasculature system in the body.		02.0410