| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| diazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| flumazenil | [no description available] | medium | 3 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| acetone | [no description available] | medium | 2 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
| benzene | [no description available] | medium | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| methane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| 1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
| toluene | [no description available] | medium | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| caffeine | [no description available] | medium | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| carbamazepine epoxide | [no description available] | medium | 1 | 0 | dibenzoazepine;
epoxide;
ureas | allergen;
drug metabolite;
marine xenobiotic metabolite |
| cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| enflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | anaesthetic |
| ether | [no description available] | medium | 2 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| halothane | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| imipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| 2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| propranolol | [no description available] | medium | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| pyrilamine | [no description available] | medium | 2 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| estrone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| 1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | chloroethanes | polar solvent |
| 1,1,1-trifluoro-2-chloroethane | [no description available] | medium | 1 | 0 | organofluorine compound | |
| isobutyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol | Saccharomyces cerevisiae metabolite |
| methylethyl ketone | [no description available] | medium | 1 | 0 | butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound | bacterial metabolite;
polar aprotic solvent |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| 3-methylpentane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | allelochemical;
human metabolite;
non-polar solvent |
| methylcyclopentane | [no description available] | medium | 1 | 0 | cycloalkane;
volatile organic compound | human metabolite;
plant metabolite |
| 2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
| pentane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
| n-hexane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
| n-heptane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
plant metabolite |
| fluroxene | [no description available] | medium | 1 | 0 | organofluorine compound | |
| 3-methylhexane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | human metabolite |
| ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| tiotidine | [no description available] | medium | 1 | 0 | thiazoles | |
| icotidine | [no description available] | medium | 1 | 0 | pyrimidone | |
| sk&f 95282 | [no description available] | medium | 1 | 0 | piperidines | |
| lupitidine | [no description available] | medium | 1 | 0 | | |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative |
| ro 15-4513 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound | |
| triazolam | [no description available] | medium | 2 | 0 | triazolobenzodiazepine | sedative |
| zolpidem | [no description available] | medium | 4 | 0 | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative |
| abecarnil | [no description available] | medium | 2 | 0 | | |
| 2-phenylpyrazolo(4,3-c)quinolin-3(5h)-one | [no description available] | medium | 2 | 0 | | |
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | beta-carbolines | |
| beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| bretazenil | [no description available] | medium | 3 | 0 | | |
| cl 218872 | [no description available] | medium | 2 | 0 | pyridazines;
ring assembly | |
| ro 15-3505 | [no description available] | medium | 1 | 0 | | |
| zk 93423 | [no description available] | medium | 1 | 0 | beta-carbolines | |
| 3-ethoxy-beta-carboline | [no description available] | medium | 1 | 0 | | |
| tert-butyl beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | | |
| ro 14-7437 | [no description available] | medium | 1 | 0 | | |
| zg 63 | [no description available] | medium | 1 | 0 | | |
| 3-propoxy-beta-carboline | [no description available] | medium | 1 | 0 | | |
| l 655,708 | [no description available] | medium | 1 | 0 | | |
| ry 80 | [no description available] | medium | 1 | 0 | | |
| qh-ii-66 | [no description available] | medium | 1 | 0 | | |
| ry 024 | [no description available] | medium | 1 | 0 | | |
| pwz-029 | [no description available] | medium | 1 | 0 | | |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| indole | [no description available] | medium | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
| pyridine | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
| desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
| mirtazapine | [no description available] | medium | 1 | 0 | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist |
| risperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist |
| acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
| nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane;
volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent |
| quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| quinoline | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
| benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
| acetophenone | [no description available] | medium | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
| nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene;
nitrobenzenes | |
| benzonitrile | [no description available] | medium | 1 | 0 | benzenes;
nitrile | |
| 4-cyanopyridine | [no description available] | medium | 1 | 0 | | |
| anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
| 2-chloropyridine | [no description available] | medium | 1 | 0 | monochloropyridine | |
| tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
| isoquinoline | [no description available] | medium | 1 | 0 | azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene | |
| ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
| cinnoline | [no description available] | medium | 1 | 0 | azaarene;
cinnolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene | |
| benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
mancude organic heterobicyclic parent | |
| flavone | [no description available] | medium | 1 | 0 | flavones | metabolite;
nematicide |
| ferrocin c | [no description available] | medium | 1 | 0 | | |
| n,n-dimethylbenzamide | [no description available] | medium | 1 | 0 | | |
| triphenylphosphine oxide | [no description available] | medium | 1 | 0 | phosphine oxide | NMR chemical shift reference compound |
| diphenyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide | |
| 4-acetylpyridine | [no description available] | medium | 1 | 0 | | |
| methyl phenyl sulfoxide | [no description available] | medium | 1 | 0 | benzenes;
sulfoxide | |
| 1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
| anthranil | [no description available] | medium | 1 | 0 | 2,1-benzoxazoles;
mancude organic heterobicyclic parent | |
| 4-methoxybenzonitrile | [no description available] | medium | 1 | 0 | | |
| 2,6-difluoropyridine | [no description available] | medium | 1 | 0 | | |
| 1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
| 6-chloroindole | [no description available] | medium | 1 | 0 | indoles | |
| paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol | |
| asenapine | [no description available] | medium | 1 | 0 | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
| org 4428 | [no description available] | medium | 1 | 0 | | |
| beta-carboline-3-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| chlordiazepoxide | [no description available] | medium | 1 | 0 | benzodiazepine | |
| l 365260 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |