Compounds > 680c91
Page last updated: 2024-11-12

680c91

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Description

680C91 : A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID10014426
CHEMBL ID355606
CHEBI ID131851
SCHEMBL ID3262726
SCHEMBL ID3262721
MeSH IDM0247241

Synonyms (26)

Synonym
6-fluoro-3-[(e)-2-pyridin-3-ylethenyl]-1h-indole
CHEMBL355606 ,
680c91
CHEBI:131851
163239-22-3
6-fluoro-3-[(e)-2-(pyridin-3-yl)vinyl]-1h-indole
bdbm50289137
6-fluoro-3-((e)-2-pyridin-3-yl-vinyl)-1h-indole
S8997
(e)-6-fluoro-3-[2-(3-pyridyl)vinyl]-1h-indole
SCHEMBL3262726
SCHEMBL3262721
6-fluoro-3-[(1e)-2-(3-pyridinyl)ethenyl]-1h-indole
AKOS024458137
680c91, >=98% (hplc)
1h-indole, 6-fluoro-3-[(1e)-2-(3-pyridinyl)ethenyl]-
(e)-6-fluoro-3-(2-(pyridin-3-yl)vinyl)-1h-indole
Q27225279
EX-A4573
MS-23388
HY-108681
6-fluoro-3-[(e)-2-(pyridin-3-yl)ethenyl]-1h-indole
6-fluoro-3-((e)-2-(pyridin-3-yl)ethenyl)-1h-indole
CS-0029467
DTXSID401226445
PD040103
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitorAn EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of tryptophan 2,3-dioxygenase (EC 1.13.11.11).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (3)

ClassDescription
fluoroindoleAn organofluorine compound that is a compound based on an indole skeleton, containing one or more fluorine atoms.
pyridinesAny organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
olefinic compoundAny organic molecular entity that contains at least one C=C bond.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (5)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Indoleamine 2,3-dioxygenase 1Homo sapiens (human)IC50 (µMol)413.80000.05373.075710.0000AID1754167; AID1754168
Tryptophan 2,3-dioxygenase Rattus norvegicus (Norway rat)IC50 (µMol)0.05000.05000.05000.0500AID1754172
Indoleamine 2,3-dioxygenase 1Mus musculus (house mouse)IC50 (µMol)80.00000.00601.625110.0000AID1252328
Tryptophan 2,3-dioxygenaseHomo sapiens (human)IC50 (µMol)0.46930.11001.66929.8000AID1252326; AID1407801; AID1558486; AID1659684; AID1752072; AID1754169; AID1754170; AID1886373; AID668566
Tryptophan 2,3-dioxygenaseHomo sapiens (human)Ki0.45500.03000.49700.8800AID611919; AID668565
Tryptophan 2,3-dioxygenaseMus musculus (house mouse)IC50 (µMol)1.23001.00002.48675.0000AID1252327; AID611916
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (22)

Processvia Protein(s)Taxonomy
regulation of activated T cell proliferationIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
positive regulation of T cell tolerance inductionIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
positive regulation of chronic inflammatory responseIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
positive regulation of type 2 immune responseIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
tryptophan catabolic processIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
inflammatory responseIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
female pregnancyIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
tryptophan catabolic process to kynurenineIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
response to lipopolysaccharideIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
negative regulation of interleukin-10 productionIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
positive regulation of interleukin-12 productionIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
multicellular organismal response to stressIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
kynurenic acid biosynthetic processIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
swimming behaviorIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
T cell proliferationIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
negative regulation of T cell proliferationIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
negative regulation of T cell apoptotic processIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
positive regulation of T cell apoptotic processIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
'de novo' NAD biosynthetic process from tryptophanIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
tryptophan catabolic process to kynurenineTryptophan 2,3-dioxygenaseHomo sapiens (human)
protein homotetramerizationTryptophan 2,3-dioxygenaseHomo sapiens (human)
response to nitroglycerinTryptophan 2,3-dioxygenaseHomo sapiens (human)
tryptophan catabolic process to acetyl-CoATryptophan 2,3-dioxygenaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (9)

Processvia Protein(s)Taxonomy
electron transfer activityIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
heme bindingIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
indoleamine 2,3-dioxygenase activityIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
metal ion bindingIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
tryptophan 2,3-dioxygenase activityIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
tryptophan 2,3-dioxygenase activityTryptophan 2,3-dioxygenaseHomo sapiens (human)
protein bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
amino acid bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
oxygen bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
heme bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
identical protein bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
metal ion bindingTryptophan 2,3-dioxygenaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
cytosolIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
smooth muscle contractile fiberIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
stereocilium bundleIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
cytoplasmIndoleamine 2,3-dioxygenase 1Homo sapiens (human)
cytosolTryptophan 2,3-dioxygenaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID611917Cytotoxicity against mouse P815B cells after 8 hrs by MTT assay2011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1752072Inhibition of human TDO2 expressed in mouse P815B cells assessed as kynurenine concentration formation using L-tryptophan as substrate incubated for 7 hrs by UPLC analysis2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.
AID1752076Inhibition of human IDO1 assessed as reduction in kynurenine production at 100 uM using tryptophan as substrate by cellular assay2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.
AID611918Chemical stability of the compound in phosphate buffered saline assessed as compound remaining at pH 7.4 after 1.5 hrs2011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1407803Inhibition of recombinant human TDO at 10 uM using L-Trp as substrate after 75 mins by UV absorption analysis2018European journal of medicinal chemistry, Sep-05, Volume: 157Design, synthesis and biological evaluation of novel naphthoquinone derivatives as IDO1 inhibitors.
AID1752075Inhibition of human IDO1 assessed as reduction in kynurenine production at 100 uM using tryptophan as substrate by enzymatic assay2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.
AID668566Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by discontinuous colorimetric method2012European journal of medicinal chemistry, Aug, Volume: 54Synthesis, crystal structures and electronic properties of isomers of chloro-pyridinylvinyl-1H-indoles.
AID1754169Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay
AID1407801Inhibition of recombinant human TDO using L-Trp as substrate after 75 mins by UV absorption analysis2018European journal of medicinal chemistry, Sep-05, Volume: 157Design, synthesis and biological evaluation of novel naphthoquinone derivatives as IDO1 inhibitors.
AID1558488Selectivity ratio of IC50 for human TDO to human recombinant pEF6/V5-His-tagged TDO2 transfected in HEK293-EBNA cells
AID611919Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formylkynurenine into kynurenine after 30 mins by Michaelis-Menten steady state analysis2011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1407804Selectivity index, ratio of IC50 for recombinant human TDO to IC50 for human IDO12018European journal of medicinal chemistry, Sep-05, Volume: 157Design, synthesis and biological evaluation of novel naphthoquinone derivatives as IDO1 inhibitors.
AID1754167Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay
AID1886373Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 75 mins by UV absorbance based analysis2022Journal of medicinal chemistry, 08-25, Volume: 65, Issue:16
Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.
AID1659684Inhibition of TDO (unknown origin) using L-tryptophan as substrate incubated for 20 mins by fluorescence based assay2020Bioorganic & medicinal chemistry letters, 06-01, Volume: 30, Issue:11
Synthesis of novel tryptanthrin derivatives as dual inhibitors of indoleamine 2,3-dioxygenase 1 and tryptophan 2,3-dioxygenase.
AID1754170Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay
AID611920Solubility of the compound in phosphate buffered saline at pH 7.42011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1752081Inhibition of recombinant human TDO2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.
AID1558486Inhibition of human recombinant pEF6/V5-His-tagged TDO2 transfected in HEK293-EBNA cells using L-tryptophan as substrate by HPLC analysis
AID611916Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs by HPLC analysis2011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1252326Inhibition of human TDO2015Journal of medicinal chemistry, Nov-25, Volume: 58, Issue:22
Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway.
AID1886372Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate at 50 uM incubated for 75 mins by UV absorbance based analysis relative to control2022Journal of medicinal chemistry, 08-25, Volume: 65, Issue:16
Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.
AID668565Inhibition of liver TDO2012European journal of medicinal chemistry, Aug, Volume: 54Synthesis, crystal structures and electronic properties of isomers of chloro-pyridinylvinyl-1H-indoles.
AID1252327Inhibition of mouse TDO2015Journal of medicinal chemistry, Nov-25, Volume: 58, Issue:22
Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway.
AID611915Plasma concentration in DBA/2 mouse at 160 mg/kg/day, po administered for 7 days with water2011Journal of medicinal chemistry, Aug-11, Volume: 54, Issue:15
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.
AID1252328Inhibition of mouse IDO12015Journal of medicinal chemistry, Nov-25, Volume: 58, Issue:22
Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway.
AID1752073Cytotoxicity against mouse P815B cells incubated for 2 to 4 hrs by MTS assay2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.
AID1754172Inhibition of TDO2 in rat liver homogenate assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr
AID1754168Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (9)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's5 (55.56)24.3611
2020's4 (44.44)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 21.63

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 Index21.63 (24.57)
Research Supply Index2.30 (2.92)
Research Growth Index4.64 (4.65)
Search Engine Demand Index18.60 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (21.63)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (11.11%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other8 (88.89%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
melatonin
[no description available]		2.0610acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
8-hydroxy-2-(di-n-propylamino)tetralin
8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin.. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively		2.0610phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
4-iodo-2,5-dimethoxyphenylisopropylamine
4-iodo-2,5-dimethoxyphenylisopropylamine: RN given refers to unlabeled parent cpd without isomeric designation; a serotonin agonist. 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine : An organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4.		2.0610amphetamines;
dimethoxybenzene;
organoiodine compound
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.		2.0610ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
ici 118551
[no description available]		2.0610indanes
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.		2.0610dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketanserin
Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.. ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.		2.0610aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
prazosin
Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.		2.0610aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
protriptyline
Protriptyline: Tricyclic antidepressant similar in action and side effects to IMIPRAMINE. It may produce excitation.		2.0610carbotricyclic compoundantidepressant
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.		2.0610erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
isatin
tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;		2.0610indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
yohimbine
Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.		2.0610methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
butaclamol
[no description available]		2.0610amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.		2.4110beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
4(5)-phenylimidazole
4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist		3.2110
1-methyltryptophan
[no description available]		3.2110non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine: structure given in first source. 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine : A tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of phencyclidine (PCP) and similar to that of cocaine.		2.06101-benzothiophenes;
piperidines;
tertiary amino compound		dopamine uptake inhibitor
(3-nitrobenzoyl)alanine
(3-nitrobenzoyl)alanine: inhibits kynurenine hydroxylase; structure in first source		3.2110
3-cyanoindole
[no description available]		2.0610
indole-3-acetonitrile
indole-3-acetonitrile: occurs in edible cruciferous vegetables. indole-3-acetonitrile : A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.		2.0610indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
bemesetron
[no description available]		2.0610
methyl-thiohydantoin-tryptophan
methyl-thiohydantoin-tryptophan: structure in first source		3.2110organonitrogen compound;
organooxygen compound
sch 23390
SCH 23390: a selective D1-receptor antagonist. SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8.		2.0610benzazepine
harmine
Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.		2.0610harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.		2.4110harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
ro 61-8048
[no description available]		3.2110C-nitro compound
ConditionIndicatedRelationship StrengthStudiesTrials
Benign Neoplasms
[description not available]		02.0610
Neoplasms
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.		02.0610
Central Nervous System Disease
[description not available]		03.0310
Central Nervous System Diseases
Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.		03.0310