Compounds > ccx282-b
Page last updated: 2024-11-12

ccx282-b

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

CCX282-B: antagonist of CCR9 chemokine receptor [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10343454
CHEMBL ID2178578
SCHEMBL ID342225
MeSH IDM0587748

Synonyms (36)

Synonym
verecimon
gsk-1605786
ccx-282-b
gsk1605786
traficet-en
mwi54oua12 ,
698394-73-9
vercirnon
ccx282
chembl2178578 ,
bdbm50398334
vercirnon [who-dd]
vercirnon [usan]
vercirnon [inn]
benzenesulfonamide, n-(4-chloro-2-((1-oxido-4-pyridinyl)carbonyl)phenyl)-4-(1,1-dimethylethyl)-
4-tert-butyl-n-[4-chloro-2-(1-oxidoisonicotinoyl)phenyl]benzenesulfonamide
JRWROCIMSDXGOZ-UHFFFAOYSA-N
SCHEMBL342225
HY-15724
CS-4963
DTXSID50220135
4-(2-(4-tert-butylphenylsulfonamido)-5-chlorobenzoyl)pyridine 1-oxide
gtpl9046
gsk'786
4-tert-butyl-n-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
ccx282-b
NCGC00485483-01
4-(2-((4-(tert-butyl)phenyl)sulfonamido)-5-chlorobenzoyl)pyridine 1-oxide
FT-0735140
DB15250
Q27089138
benzenesulfonamide, n-[4-chloro-2-[(1-oxido-4-pyridinyl)carbonyl]phenyl]-4-(1,1-dimethylethyl)-
A914682
F81794
MS-28019
YCB39473

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51

Dosage Studied

ExcerptRelevanceReference
"Co-administration of probe substrates midazolam, pioglitazone, omeprazole, and rosuvastatin following repeat dosing of vercirnon 500 mg BID demonstrated vercirnon had no clinically significant effect on CYP3A4, CYP2C8, CYP2C19 enzyme activity or BCRP or OATP1B1 transporter activity."( Effects of vercirnon on the activity of CYP3A4, CYP2C19 and CYP2C8 enzymes and BCRP and OATP1B1 transporters using probe substrates.
Cargill, A; Haberer, LJ; McCarthy, L; McSherry, I, 2014)		0.4
[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)
Cytochrome P450 2C9 Homo sapiens (human)IC50 (µMol)0.00280.00002.800510.0000AID1527596
C-C chemokine receptor type 9Homo sapiens (human)IC50 (µMol)0.23160.00260.23161.0000AID1239784; AID1239785; AID1239786; AID1259699; AID1259700; AID1259703; AID1259706; AID1306155; AID1527596; AID1527597; AID707882; AID707903
C-C chemokine receptor type 9Homo sapiens (human)Ki0.00490.00110.00490.0100AID1296738; AID1296739; AID1296740
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (23)

Processvia Protein(s)Taxonomy
xenobiotic metabolic processCytochrome P450 2C9 Homo sapiens (human)
steroid metabolic processCytochrome P450 2C9 Homo sapiens (human)
cholesterol metabolic processCytochrome P450 2C9 Homo sapiens (human)
estrogen metabolic processCytochrome P450 2C9 Homo sapiens (human)
monoterpenoid metabolic processCytochrome P450 2C9 Homo sapiens (human)
epoxygenase P450 pathwayCytochrome P450 2C9 Homo sapiens (human)
urea metabolic processCytochrome P450 2C9 Homo sapiens (human)
monocarboxylic acid metabolic processCytochrome P450 2C9 Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 2C9 Homo sapiens (human)
long-chain fatty acid biosynthetic processCytochrome P450 2C9 Homo sapiens (human)
amide metabolic processCytochrome P450 2C9 Homo sapiens (human)
icosanoid biosynthetic processCytochrome P450 2C9 Homo sapiens (human)
oxidative demethylationCytochrome P450 2C9 Homo sapiens (human)
omega-hydroxylase P450 pathwayCytochrome P450 2C9 Homo sapiens (human)
CD8-positive, gamma-delta intraepithelial T cell differentiationC-C chemokine receptor type 9Homo sapiens (human)
chemotaxisC-C chemokine receptor type 9Homo sapiens (human)
cellular defense responseC-C chemokine receptor type 9Homo sapiens (human)
G protein-coupled receptor signaling pathwayC-C chemokine receptor type 9Homo sapiens (human)
chemokine-mediated signaling pathwayC-C chemokine receptor type 9Homo sapiens (human)
immune responseC-C chemokine receptor type 9Homo sapiens (human)
cell chemotaxisC-C chemokine receptor type 9Homo sapiens (human)
calcium-mediated signalingC-C chemokine receptor type 9Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationC-C chemokine receptor type 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (17)

Processvia Protein(s)Taxonomy
monooxygenase activityCytochrome P450 2C9 Homo sapiens (human)
iron ion bindingCytochrome P450 2C9 Homo sapiens (human)
arachidonic acid epoxygenase activityCytochrome P450 2C9 Homo sapiens (human)
steroid hydroxylase activityCytochrome P450 2C9 Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activityCytochrome P450 2C9 Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activityCytochrome P450 2C9 Homo sapiens (human)
oxidoreductase activityCytochrome P450 2C9 Homo sapiens (human)
(S)-limonene 6-monooxygenase activityCytochrome P450 2C9 Homo sapiens (human)
(S)-limonene 7-monooxygenase activityCytochrome P450 2C9 Homo sapiens (human)
caffeine oxidase activityCytochrome P450 2C9 Homo sapiens (human)
(R)-limonene 6-monooxygenase activityCytochrome P450 2C9 Homo sapiens (human)
aromatase activityCytochrome P450 2C9 Homo sapiens (human)
heme bindingCytochrome P450 2C9 Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 2C9 Homo sapiens (human)
chemokine receptor activityC-C chemokine receptor type 9Homo sapiens (human)
C-C chemokine bindingC-C chemokine receptor type 9Homo sapiens (human)
C-C chemokine receptor activityC-C chemokine receptor type 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Processvia Protein(s)Taxonomy
endoplasmic reticulum membraneCytochrome P450 2C9 Homo sapiens (human)
plasma membraneCytochrome P450 2C9 Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2C9 Homo sapiens (human)
cytoplasmCytochrome P450 2C9 Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2C9 Homo sapiens (human)
plasma membraneC-C chemokine receptor type 9Homo sapiens (human)
cell surfaceC-C chemokine receptor type 9Homo sapiens (human)
external side of plasma membraneC-C chemokine receptor type 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (40)

Assay IDTitleYearJournalArticle
AID1239788Solubility of the compound at pH 92015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296744Elimination half life in mouse at 1 mg/kg, iv2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239790Clearance in human liver microsomes2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296746AUC in mouse at 10 mg/kg, po2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1296742Metabolic stability of compound in human liver microsomes assessed as remaining compound at 37 deg C2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1296739Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239792Dose normalized AUC in iv dosed mouse2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296748Anticolitis activity in DSS-induced acute colitis C57BL/6 mouse model assessed as reduction in disease activity index at 50 mg/kg, sc bid for 10 days2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239795Volume of distribution at steady state in iv dosed mouse2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296743Metabolic stability of compound in mouse liver microsomes assessed as remaining compound at 37 deg C2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1296747Absolute bioavailability in mouse at 1 mg/kg, iv 10 mg/kg, po2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID707882Antagonist activity at CCR9 assessed as inhibition of CCL25-induced chemotaxis by cell based assay2012Journal of medicinal chemistry, Nov-26, Volume: 55, Issue:22
Chemokine receptor antagonists.
AID1296740Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed CCL25 addition incubated for 2 hrs by ChemoTx plate system2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239794Terminal half life in iv and po dosed mouse2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1239786Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1306169Lipophilicity, logD of the compound2016Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14
Discovery of indole inhibitors of chemokine receptor 9 (CCR9).
AID1254756Intrinsic clearance in rat liver microsomes2015Journal of medicinal chemistry, Nov-12, Volume: 58, Issue:21
Applications of Fluorine in Medicinal Chemistry.
AID1239785Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1527596Antagonist activity at recombinant human CCR9A expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins followed by addition of CCL25 and measured after 120 min by QUANT dye based fluorescence assay2020European journal of medicinal chemistry, Jan-01, Volume: 185Discovery of small-molecule candidates against inflammatory bowel disease.
AID1239791Clearance in mouse liver microsomes2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1239797Lipophilicity, log D of the compound2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1239796Oral bioavailability in mouse2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1527597Antagonist activity at recombinant human CCR9B expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins followed by addition of CCL25 and measured after 120 min by QUANT dye based fluorescence assay2020European journal of medicinal chemistry, Jan-01, Volume: 185Discovery of small-molecule candidates against inflammatory bowel disease.
AID1296738Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239793Clearance in iv dosed mouse2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1634177Inhibition of chemotaxis in mouse BAF3 cells2019Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16
Small-molecule agents for the treatment of inflammatory bowel disease.
AID1239787Solubility of the compound at pH 7.42015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296741Solubility of compound at pH 7.4 buffer2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1296745Clearance in mouse at 1 mg/kg, iv2016Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
AID1239784Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK induction2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID707903Binding affinity to CCR92012Journal of medicinal chemistry, Nov-26, Volume: 55, Issue:22
Chemokine receptor antagonists.
AID1306155Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agonist addition measured for 90 sec by fluo-8 dye-based FLIPR assay2016Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14
Discovery of indole inhibitors of chemokine receptor 9 (CCR9).
AID707908Lipophilicity, log P of the compound2012Journal of medicinal chemistry, Nov-26, Volume: 55, Issue:22
Chemokine receptor antagonists.
AID1239789Plasma protein binding in human2015Bioorganic & medicinal chemistry letters, Sep-01, Volume: 25, Issue:17
Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346918Human CCR9 (Chemokine receptors)2010The Journal of pharmacology and experimental therapeutics, Oct, Volume: 335, Issue:1
Characterization of CCX282-B, an orally bioavailable antagonist of the CCR9 chemokine receptor, for treatment of inflammatory bowel disease.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (24)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's19 (79.17)24.3611
2020's5 (20.83)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 18.21

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 Index18.21 (24.57)
Research Supply Index3.33 (2.92)
Research Growth Index6.36 (4.65)
Search Engine Demand Index10.37 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (18.21)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials3 (12.50%)5.53%
Reviews9 (37.50%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (50.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
avapro
Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.. irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.		2.0710azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
midazolam
Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.		3.4811imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
omeprazole
Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.		3.4811aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
pioglitazone
Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.		3.4811aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		3.1910amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
fluorobenzenes
Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.		3.4811monofluorobenzenesNMR chemical shift reference compound
baicalin
[no description available]		3.3510dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
plerixafor
plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2. plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.		2.0710azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.		3.3510flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
lodenosine
lodenosine: anti-HIV nucleoside analog, the flourine atom on lodenosine is located at 2-arabinoside location, while 2'-fluoro-2',3'-dideoxyadenosine has the flourine residue at the 2-ribose sugar location		3.2110
bosentan anhydrous
Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.		3.2110primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
tak 779
[no description available]		2.0710
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid 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).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.		2.0510retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
bx 471
BX 471: a CC chemokine receptor-1 antagonist; structure in first source		2.0710
aplaviroc
aplaviroc: a spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1; structure in first source		2.0710
maraviroc
[no description available]		2.0710tropane alkaloid
vicriviroc
vicriviroc: structure in first source		2.0710(trifluoromethyl)benzenes
sb 225002
[no description available]		2.0710nitrophenol
sitagliptin
sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.		3.2110triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
quercetin
[no description available]		3.35107-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
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		3.3510disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
cp 481715
quinoxaline-2-carboxylic acid (4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyloctyl)amide: a CCR1 antagonist and NSAID; structure in first source		2.0710
indinavir sulfate
Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.		3.2110dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
reparixin
reparixin: inhibits CXCR1 to prevent polymorphonuclear cell recruitment		2.0710monoterpenoid
bms 193884
[no description available]		2.0710
sch 527123
[no description available]		2.0710
ajm300
AJM300: an alpha4 integrin antagonist		3.1910
sb 656933
[no description available]		2.0710
cenicriviroc
cenicriviroc: an inhibitor of HIV-1. cenicriviroc : A member of the class of benzazocines that is (5Z)-1,2,3,4-tetrahydro-1-benzazocine which is substituted by a 2-methylpropyl, N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}carboxamide and 4-(2-butoxyethoxy)phenyl groups at positions 1, 5 and 8, respectively. It is a potent chemokine 2 and 5 receptor antagonist currently in development for the treatment of liver fibrosis in adults with nonalcoholic steatohepatitis (NASH).		2.0710aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
oligonucleotides
[no description available]		3.2710
amg 487
[no description available]		2.0710
elafin
Elafin: A secretory proteinase inhibitory protein that was initially purified from human SKIN. It is found in a variety mucosal secretions and is present at high levels in SPUTUM. Elafin may play a role in the innate immunity (IMMUNITY, INNATE) response of the LUNG.		3.2110
raltegravir
[no description available]		2.07101,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide		antiviral drug;
HIV-1 integrase inhibitor
ged0301
GED0301: a Smad7 antisense oligonucleotide		3.2710
ConditionIndicatedRelationship StrengthStudiesTrials
Colitis, Granulomatous
[description not available]		08.0572
Ileitis
Inflammation of any segment of the ILEUM and the ILEOCECAL VALVE.		02.0510
Bowel Diseases, Inflammatory
[description not available]		05.0860
Crohn Disease
A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients.		110.0572
Inflammatory Bowel Diseases
Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.		05.0860
Autoimmune Disease
[description not available]		02.0710
Autoimmune Diseases
Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides.		02.0710
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.930
Colitis
Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.		02.1310
Colitis Gravis
[description not available]		04.4340
Colitis, Ulcerative
Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.		16.4340
Congenital Zika Syndrome
[description not available]		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Disease Exacerbation
[description not available]		02.3110
Fatty Liver, Nonalcoholic
[description not available]		02.3110
Hepatocellular Carcinoma
[description not available]		02.3110
Cancer of Liver
[description not available]		02.3110
Carcinoma, Hepatocellular
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.		02.3110
Liver Neoplasms
Tumors or cancer of the LIVER.		02.3110
Non-alcoholic Fatty Liver Disease
Fatty liver finding without excessive ALCOHOL CONSUMPTION.		02.3110
Celiac Sprue
[description not available]		03.9420
Celiac Disease
A malabsorption syndrome that is precipitated by the ingestion of foods containing GLUTEN, such as wheat, rye, and barley. It is characterized by INFLAMMATION of the SMALL INTESTINE, loss of MICROVILLI structure, failed INTESTINAL ABSORPTION, and MALNUTRITION.		15.9420