salvinorin a profile

salvinorin A: from the herb, Salvia divinorum [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Salvia	genus	A genus in the mint family (LAMIACEAE).[MeSH]	Lamiaceae	The mint plant family. They are characteristically aromatic, and many of them are cultivated for their oils. Most have square stems, opposite leaves, and two-lipped, open-mouthed, tubular corollas (united petals), with five-lobed, bell-like calyxes (united sepals).[MeSH]
Salvia divinorum	species	[no description available]	Lamiaceae	The mint plant family. They are characteristically aromatic, and many of them are cultivated for their oils. Most have square stems, opposite leaves, and two-lipped, open-mouthed, tubular corollas (united petals), with five-lobed, bell-like calyxes (united sepals).[MeSH]

ID Source	ID
PubMed CID	128563
CHEMBL ID	445332
CHEBI ID	67900
SCHEMBL ID	39147
MeSH ID	M0239123

Synonym
gtpl1666
methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-acetyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate
divinorin a
salvinorin a
PDSP2_001236
83729-01-5
salvinorin
2h-naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2s,4ar,6ar,7r,9s,10as,10br)- (9ci)
ska maria pastora
herbal ecstasy
2h-naphtho(2,1-c)pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2s-(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta))-
mexican mint
2h-naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, [2s-(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta)]-
2h-naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2s,4ar,6ar,7r,9s,10as,10br)-
salvinorin a, >=98% (hplc), powder
NCGC00162442-03
salvonorin a
(2s,4ar,6ar,7r,9s,10as,10br)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho-[2,1-c]pyran-7-carboxylic acid methyl ester
(2s,4ar,6ar,7r,9s,10as,10br)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1h-benzo[f]isochromene-7-carboxylate
bdbm50159165
2s,4ar,6a(r,7r,9s,10as,10br)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
(3s,4ar,4bs,6s,8r,8ar,10ar)-6-acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
salvinorin-a
(2s,4ar,6ar,7r,9s,10as,10br)-methyl 9-(acetylthio)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1h-benzo[f]isochromene-7-carboxylate
CHEMBL445332 ,
(-)-salvinorin a
chebi:67900 ,
methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate
C20196
unii-t56w91ng6j
hsdb 7640
t56w91ng6j ,
(2s,4ar,6ar,7r,9s,10as,10br)-9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
salvinorin a [mi]
2h-naphtho(2,1-c)pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2s,4ar,6ar,7r,9s,10as,10br)-
salvinorin a [hsdb]
BRD-K19284129-001-01-8
CCG-214573
SCHEMBL39147
OBSYBRPAKCASQB-AGQYDFLVSA-N
(2s,4ar,6ar,7r,9s,10as,10br)-9-(acetoxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
DTXSID80232584
AKOS027325800
sr-05000002668
SR-05000002668-1
DB12327
(2s,4ar,6ar,7r,9s,10as,10br)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1h-benzo[f]isochromene-7-carboxylate
Q413512
c23h28o8 ?? 0.25h2o
methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-2h-benzo[f]isochromene-7-carboxylate
XS139259
methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1h-naphtho[2,1-c]pyran-7-carboxylate

Excerpt	Reference	Relevance
"Salvinorin A (1) is a hallucinogenic neoclerodane diterpene isolated from the widely available psychoactive plant Salvia divinorum and is the first example of a non-nitrogenous opioid receptor ligand. "	( Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A. Gilmour, B; Harding, WW; Holden, KG; Kannan, P; Navarro, H; Prisinzano, TE; Rothman, RB; Schmidt, M; Tidgewell, K, 2006)	1.98
"Salvinorin A is a psychoactive natural product that has been found to be a potent and selective kappa opioid receptor agonist in vitro and in vivo. "	( Herkinorin analogues with differential beta-arrestin-2 interactions. Bohn, LM; Dersch, CM; Groer, CE; Harding, WW; Hiemstra, J; Lozama, A; Marquam, A; Partilla, JS; Prisinzano, TE; Rothman, RB; Schmidt, M; Tidgewell, K, 2008)	1.79
"Salvinorin A (SA) is a highly selective kappa opioid receptor (KOR) agonist that has significant protective effects on cerebrovascular function after ischemic stroke, but its underlying mechanism is still unclear. "	( Salvinorin A moderates postischemic brain injury by preserving endothelial mitochondrial function via AMPK/Mfn2 activation. Dong, H; He, Z; Shi, H; Wang, Z; Xin, J; Yao, X; Zhou, W, 2019)	3.4
"Salvinorin A is a potent plant-derived hallucinogen that acts as a highly selective κ-opioid receptor agonist."	( Salvinorin A Does Not Affect Seizure Threshold in Mice. Doboszewska, U; Socała, K; Wlaź, P, 2020)	2.72
"Salvinorin A (SA) is a κ-opioid receptor agonist and atypical dissociative hallucinogen found in Salvia divinorum. "	( The Acute Effects of the Atypical Dissociative Hallucinogen Salvinorin A on Functional Connectivity in the Human Brain. Barrett, FS; Clifton, JM; Doss, MK; Griffiths, RR; Hedrick, SL; Johnson, MW; May, DG; Prisinzano, TE, 2020)	2.24
"Salvinorin A (SalA) is a potent and selective agonist of the kappa-opioid receptor (KOR), but its instability has frustrated medicinal chemistry efforts. "	( O6C-20-nor-salvinorin A is a stable and potent KOR agonist. Bohn, LM; Brust, TF; Cho, M; Hirasawa, S; Roach, JJ; Shenvi, RA, 2018)	2.31
"Salvinorin A is a kappa-opioid agonist and the first reported psychoactive diterpene."	( From local to global-fifty years of research on Salvia divinorum. Casselman, I; Heinrich, M; Nock, CJ; Weatherby, RP; Wohlmuth, H, 2014)	1.12
"Salvinorin A is a recreational drug derived from Salvia divinorum, a sage species long used as an entheogen. "	( Behavioural and neurochemical assessment of salvinorin A abuse potential in the rat. Collu, R; Fadda, P; Fattore, L; Fratta, W; Scherma, M; Serra, V; Spano, MS, 2015)	2.12
"Salvinorin A is a κ-opioid receptor agonist extracted from Salvia divinorum, a hallucinogenic plant used in magico-ritual contexts by Mazateca Indians in México."	( Salvinorin a and related compounds as therapeutic drugs for psychostimulant-related disorders. Crippa, JA; dos Santos, RG; Hallak, JE; Machado-de-Sousa, JP, 2014)	2.57
"Salvinorin A is a kappa opioid agonist and the principal psychoactive constituent of the Salvia divinorum plant, which has been used for hallucinogenic effects. "	( Time course of pharmacokinetic and hormonal effects of inhaled high-dose salvinorin A in humans. Caspers, MJ; Griffiths, RR; Johnson, MW; MacLean, KA; Prisinzano, TE, 2016)	2.11
"Salvinorin A is a selective high-efficacy kappa-agonist in vitro, with some unique pharmacodynamic properties."	( Unconditioned behavioral effects of the powerful kappa-opioid hallucinogen salvinorin A in nonhuman primates: fast onset and entry into cerebrospinal fluid. Butelman, ER; Deng, H; Kreek, MJ; Prisinzano, TE; Rus, S, 2009)	1.3
"Salvinorin A (SA) is a potent and highly selective kappa-opioid receptor (KOR) agonist with rapid kinetics and commensurate behavioral effects; however, brain regions associated with these effects have not been determined."	( Metabolic changes in the rodent brain after acute administration of salvinorin A. Hooker, JM; Kothari, S; Patel, V; Schiffer, WK, )	1.81
"Salvinorin A is a selective KOP agonist, but only a few studies have explored the discriminative stimulus effects of this compound."	( Comparison of the discriminative stimulus effects of salvinorin A and its derivatives to U69,593 and U50,488 in rats. Baker, LE; Bell, LM; Haliw, LA; Killinger, BA; Panos, JJ; Peet, MM; Walker, SL, 2009)	1.32
"Salvinorin A is an unregulated potent hallucinogen isolated from the leaves of Salvia divinorum. "	( Evaluation of the transport, in vitro metabolism and pharmacokinetics of Salvinorin A, a potent hallucinogen. Eddington, ND; Hassan, HE; Lee, IJ; Nemieboka, NN; Othman, AA; Prisinzano, TE; Syed, SS; Teksin, ZS; Upreti, VV, 2009)	2.03
"Salvinorin A (SA) is a potent kappa opioid agonist with a brief duration of action. "	( Salvinorin A and derivatives: protection from metabolism does not prolong short-term, whole-brain residence. Alexoff, D; Béguin, C; Cohen, BM; Hooker, JM; Munro, TA; Shea, C; Xu, Y, 2009)	3.24
"Salvinorin A is a potent, selective nonnitrogenous kappa opioid agonist and the known psychoactive constituent of Salvia divinorum, a member of the mint family that has been used for centuries by Mazatec shamans of Mexico for divination and spiritual healing. "	( Human psychopharmacology and dose-effects of salvinorin A, a kappa opioid agonist hallucinogen present in the plant Salvia divinorum. Griffiths, RR; Johnson, MW; MacLean, KA; Prisinzano, TE; Reissig, CJ, 2011)	2.07
"Salvinorin A (SA) is a highly selective kappa opioid receptor agonist and the putative psychoactive compound in Salvia divinorum (SD), an increasingly abused hallucinogenic plant."	( Lack of effect of sublingual salvinorin A, a naturally occurring kappa opioid, in humans: a placebo-controlled trial. Baggott, MJ; Cohen, BM; Coyle, JR; Everhart, ET; Flower, K; Galloway, GP; Lopez, JC; Mendelson, JE; Munro, TA, 2011)	2.1
"Salvinorin A is a nonopioid, selective κ opioid-receptor agonist. "	( Salvinorin A produces cerebrovasodilation through activation of nitric oxide synthase, κ receptor, and adenosine triphosphate-sensitive potassium channel. Armstead, WM; Kiessling, WJ; Liu, R; Riley, J; Su, D, 2011)	3.25
"Salvinorin A is a neoclerodane diterpene that has been shown to be an agonist at kappa opioid receptors. "	( Synthesis of neoclerodane diterpenes and their pharmacological effects. Lovell, KM; Lozama, A; Prevatt-Smith, KM; Prisinzano, TE, 2011)	1.81
"Salvinorin A is a kappa opioid agonist and the principal psychoactive constituent of the plant Salvia divinorum, which has increased in popularity as a recreational drug over the past decade. "	( Dose-related effects of salvinorin A in humans: dissociative, hallucinogenic, and memory effects. Griffiths, RR; Johnson, MW; MacLean, KA; Prisinzano, TE; Reissig, CJ, 2013)	2.14
"Salvinorin A is a unique hallucinogen that is seeing increased use in humans. "	( Acute physiologic and chronic histologic changes in rats and mice exposed to the unique hallucinogen salvinorin A. Briner, W; Mosher, M; Mowry, M, )	1.79
"Salvinorin A was found to be a full agonist, being significantly more efficacious than (trans)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)-cyclohexyl] benzeneacetamide methane-sulfonate hydrate (U50488) or (trans)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)-cyclohexyl] benzeneacetamide methane-sulfonate hydrate (U69593) (two standard kappa-opioid agonists) and similar in efficacy to dynorphin A (the naturally occurring peptide ligand for kappa-opioid receptors)."	( Salvinorin A, an active component of the hallucinogenic sage salvia divinorum is a highly efficacious kappa-opioid receptor agonist: structural and functional considerations. Chavkin, C; Hufeisen, SJ; Jin, W; Roth, BL; Siebert, DJ; Stewart, J; Sud, S; Toth, BA; Zjawiony, JK, 2004)	2.49
"Salvinorin A is a novel hallucinogen isolated from the widely available leaves of Salvia divinorum. "	( A facile method for the preparation of deuterium labeled salvinorin A: synthesis of [2,2,2-2H3]-salvinorin A. Harding, WW; Holden, KG; Murry, DJ; Prisinzano, TE; Schmidt, M; Tidgewell, K, 2004)	2.01
"Salvinorin A is a naturally occurring hallucinogen derived from the plant Salvia divinorum. "	( Effects of the plant-derived hallucinogen salvinorin A on basal dopamine levels in the caudate putamen and in a conditioned place aversion assay in mice: agonist actions at kappa opioid receptors. Butelman, ER; Ho, A; Kreek, MJ; Schlussman, SD; Zhang, Y, 2005)	2.04
"Salvinorin A is a naturally occurring hallucinogenic diterpenoid from the plant Salvia divinorumthat selectively and potently activates kappa-opioid receptors (KORs). "	( Identification of the molecular mechanisms by which the diterpenoid salvinorin A binds to kappa-opioid receptors. Mosier, PD; Roth, BL; Sheffler, DJ; Stewart, J; Vortherms, TA; Westkaemper, RB; Yan, F; Zjawiony, JK, 2005)	2.01
"Salvinorin A is a pharmacologically active diterpene that occurs naturally in the Mexican mint Ska Maria Pastora (Salvia divinorum) and represents the first naturally occurring kappa-opioid receptor agonist. "	( Kappa-opioid receptor-mediated effects of the plant-derived hallucinogen, salvinorin A, on inverted screen performance in the mouse. Fantegrossi, WE; Koreeda, M; Kugle, KM; Valdes, LJ; Woods, JH, 2005)	2
"Salvinorin A, is a structurally unique, non-nitrogenous, kappa opioid receptor (KOP) agonist. "	( Antinociceptive profile of salvinorin A, a structurally unique kappa opioid receptor agonist. McCurdy, CR; Nieto, MJ; Smith, GH; Sufka, KJ; Warnick, JE, 2006)	2.07
"Salvinorin A is a potent kappa opioid receptor (KOP) agonist with unique structural and pharmacological properties. "	( A unique binding epitope for salvinorin A, a non-nitrogenous kappa opioid receptor agonist. Ferguson, DM; Kane, BE; McCurdy, CR; Nieto, MJ, 2006)	2.07
"Salvinorin A (salvA) is a valuable KOR agonist for further study due to its high potency and receptor selectivity."	( N-methylacetamide analog of salvinorin A: a highly potent and selective kappa-opioid receptor agonist with oral efficacy. Béguin, C; Berry, L; Carlezon, WA; Cohen, BM; Dinieri, JA; Liu-Chen, LY; Munro, TA; Paine, TA; Potter, DN; Richards, MR; Roth, BL; Xu, W; Zhao, Z, 2008)	1.36

Excerpt	Reference	Relevance
"Salvinorin A has a potent antinociceptive effect when is administered centrally in the IC by the interaction with KOR and CB1 receptors."	( Salvinorin A reduces neuropathic nociception in the insular cortex of the rat. Almanza, A; Canseco-Alba, A; Coffeen, U; León-Olea, M; Mercado, F; Pellicer, F; Simón-Arceo, K, 2018)	3.37
"Salvinorin A (SA) has a potent inhibitory action on mouse gastrointestinal (GI) motility and ion transport, mediated primarily by kappa-opioid receptors (KOR). "	( Salvinorin A has antiinflammatory and antinociceptive effects in experimental models of colitis in mice mediated by KOR and CB1 receptors. Dicay, M; Fichna, J; Janecka, A; Lewellyn, K; MacNaughton, WK; Storr, MA; Zjawiony, JK, 2012)	3.26
"Salvinorin A has been shown to have high affinity and selectivity for the κ-opioid receptor (KOR)."	( Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor. Huben, K; Mosier, PD; Polepally, PR; Roth, BL; Setola, V; Vardy, E; Zjawiony, JK, 2014)	1.38
"Salvinorin A has a potent antinociceptive effect when is administered centrally in the IC by the interaction with KOR and CB1 receptors."	( Salvinorin A reduces neuropathic nociception in the insular cortex of the rat. Almanza, A; Canseco-Alba, A; Coffeen, U; León-Olea, M; Mercado, F; Pellicer, F; Simón-Arceo, K, 2018)	3.37
"Salvinorin A has therapeutic potential as a treatment for pain, mood and personality disorders, substance abuse, and gastrointestinal disturbances, and suggests that nonalkaloids are potential scaffolds for drug development for aminergic G-protein coupled receptors."	( Neuropharmacology of the naturally occurring kappa-opioid hallucinogen salvinorin A. Cunningham, CW; Prisinzano, TE; Rothman, RB, 2011)	1.32
"Salvinorin A (SA) has a potent inhibitory action on mouse gastrointestinal (GI) motility and ion transport, mediated primarily by kappa-opioid receptors (KOR). "	( Salvinorin A has antiinflammatory and antinociceptive effects in experimental models of colitis in mice mediated by KOR and CB1 receptors. Dicay, M; Fichna, J; Janecka, A; Lewellyn, K; MacNaughton, WK; Storr, MA; Zjawiony, JK, 2012)	3.26

Excerpt	Reference	Relevance
"Salvinorin A pretreatment preserves autoregulation of the pial artery to hypotension and hypercapnia after hypoxia/ischemia via ERK in a piglet model."	( Salvinorin A pretreatment preserves cerebrovascular autoregulation after brain hypoxic/ischemic injury via extracellular signal-regulated kinase/mitogen-activated protein kinase in piglets. Armstead, WM; Liu, R; Riley, J; Su, D, 2012)	3.26
"Two salvinorin A treated groups had salvinorin A (10 µg/kg, i.v.) administrated 0 and 30 min after HI, respectively."	( Salvinorin A administration after global cerebral hypoxia/ischemia preserves cerebrovascular autoregulation via kappa opioid receptor in piglets. Armstead, WM; Liu, R; Ma, N; Riley, J; Wang, Z, 2012)	2.3
"treatment of salvinorin A (0.1-10 microg/kg)."	( Hallucinatory and rewarding effect of salvinorin A in zebrafish: kappa-opioid and CB1-cannabinoid receptor involvement. Braida, D; Gori, E; Guerini-Rocco, C; Limonta, V; Pegorini, S; Sala, M; Zani, A, 2007)	0.96

Excerpt	Reference	Relevance
"It is now generally recognized that upon activation by an agonist, β-arrestin associates with G protein-coupled receptors and acts as a scaffold in creating a diverse signaling network that could lead to adverse effects."	( Putative kappa opioid heteromers as targets for developing analgesics free of adverse effects. Benneyworth, MA; Kalyuzhny, AE; Le Naour, M; Lunzer, MM; Portoghese, PS; Powers, MD; Thomas, MJ, 2014)	0.4

Excerpt	Reference	Relevance
" Pharmacokinetic differences (distribution t(1/2), elimination t(1/2), and AUC) were observed between males and females, suggesting potential sex differences in its pharmacologic effects."	( Pharmacokinetics of the plant-derived kappa-opioid hallucinogen salvinorin A in nonhuman primates. Butelman, ER; Harding, WW; Kreek, MJ; Murry, DJ; Prisinzano, TE; Schmidt, MD; Schmidt, MS; Tidgewell, K, 2005)	0.57
"3% of the total administered dose in 40 s and clearing with a half-life of 8 min."	( Pharmacokinetics of the potent hallucinogen, salvinorin A in primates parallels the rapid onset and short duration of effects in humans. Carter, P; Fowler, JS; Hooker, JM; Schiffer, W; Shea, C; Xu, Y, 2008)	0.61

Excerpt	Reference	Relevance
" divinorum based on a thorough anatomical examination is proposed, combined with chemical analysis for proper plant recognition."	( Vegetative anatomy and micromorphology of Salvia divinorum (Lamiaceae) from Mexico, combined with chromatographic analysis of salvinorin A. Galal, AM; Khan, IA; Kowalczuk, AP; Raman, V; Siebert, DJ; Zjawiony, JK, 2014)	0.61

Excerpt	Reference	Relevance
"Our results suggest that the sublingual bioavailability of SA is low."	( Lack of effect of sublingual salvinorin A, a naturally occurring kappa opioid, in humans: a placebo-controlled trial. Baggott, MJ; Cohen, BM; Coyle, JR; Everhart, ET; Flower, K; Galloway, GP; Lopez, JC; Mendelson, JE; Munro, TA, 2011)	0.66
" Additionally, an ∼85% correlation was obtained between PAMPA pH 5 permeability and in vivo oral bioavailability in mice and rats."	( Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailability. Itkin, M; Kabir, M; Mathé, EA; Nguyễn, ÐT; Padilha, EC; Shah, P; Shinn, P; Siramshetty, V; Wang, AQ; Williams, J; Xu, X; Yu, KR; Zhao, T, 2022)	0.72

Excerpt	Relevance	Reference
" Regarding its dose-response relationship, the active ingredient, salvinorin A, is one of the most potent naturally occurring hallucinogens."	( Use of nonprohibited hallucinogenic plants: increasing relevance for public health? A case report and literature review on the consumption of Salvia divinorum (Diviner's Sage). Bücheler, R; Gaertner, I; Gleiter, CH; Schwoerer, P, 2005)	0.57
"0 mg/kg) dose-response and time-course (10, 20, and 30 min) effects in a thermal nociceptive assay, and 2) the ability for the KOP antagonist norBNI (10."	( Antinociceptive profile of salvinorin A, a structurally unique kappa opioid receptor agonist. McCurdy, CR; Nieto, MJ; Smith, GH; Sufka, KJ; Warnick, JE, 2006)	0.63
" In cumulative dosing studies (0."	( The effects of herkinorin, the first mu-selective ligand from a salvinorin A-derived scaffold, in a neuroendocrine biomarker assay in nonhuman primates. Butelman, ER; Kreek, MJ; Prisinzano, TE; Rus, S; Simpson, DS; Wolf, A, 2008)	0.58
" In addition, no change in sucrose preference was observed in nonstressed rats that were exposed to the same dosage of SalvA."	( Antidepressive effects of the κ-opioid receptor agonist salvinorin A in a rat model of anhedonia. Harden, MT; McCurdy, CR; Niehoff, JA; Smith, SE; Taylor, GT, 2012)	0.63
"Salvinorin-A induced intense psychotropic effects characterized by a dose-dependent gating of external audio-visual information and an inverted-U dose-response effect on body awareness."	( Salvinorin-A Induces Intense Dissociative Effects, Blocking External Sensory Perception and Modulating Interoception and Sense of Body Ownership in Humans. Addy, PH; Antonijoan, RM; Ballester, MR; Barker, S; Claramunt, J; Coimbra, J; Garrido, M; González, M; Griffiths, RR; Johnson, MW; Maqueda, AE; Puntes, M; Riba, J; Valle, M, 2015)	0.42
" We have previously shown that the antinociception dose-response curve for peripherally restricted doses of the KOR agonist (-)-(trans)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide (U50488) has an inverted U shape."	( Functional selectivity of kappa opioid receptor agonists in peripheral sensory neurons. Berg, KA; Chavera, TA; Clarke, WP; Jacobs, BA; Jamshidi, RJ; Prisinzano, TE; Saylor, RM; Sullivan, LC, 2015)	0.42

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
oneirogen	Any substance that produces or enhances dream-like states of consciousness.
[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]

Class	Description
organic heterotricyclic compound	An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
organooxygen compound	An organochalcogen compound containing at least one carbon-oxygen 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	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Delta-type opioid receptor	Mus musculus (house mouse)	Ki	7.0000	0.0000	0.5393	9.4000	AID1250603; AID317034; AID321652; AID369071
Kappa-type opioid receptor	Mus musculus (house mouse)	Ki	0.0187	0.0003	0.3594	2.7500	AID1872132
Mu-type opioid receptor	Rattus norvegicus (Norway rat)	Ki	7.0000	0.0000	0.3845	8.6000	AID1250605; AID317033; AID321651; AID369070
Kappa-type opioid receptor	Rattus norvegicus (Norway rat)	Ki	0.4921	0.0000	0.1868	3.9500	AID239396; AID290338; AID317013; AID317014; AID317015; AID317016; AID317017; AID317018; AID317019; AID317020; AID317021; AID317022; AID317023; AID317024; AID317025; AID317026; AID317027; AID317028; AID317029; AID317030; AID317031; AID317032
Mu-type opioid receptor	Homo sapiens (human)	Ki	5.4156	0.0000	0.4197	10.0000	AID1872031; AID238663; AID329899; AID377275; AID552818; AID659109; AID747129
Delta-type opioid receptor	Homo sapiens (human)	Ki	8.1360	0.0000	0.5978	9.9300	AID1872032; AID238721; AID329900; AID377276; AID552819; AID595418; AID659112; AID747128
Kappa-type opioid receptor	Homo sapiens (human)	Ki	0.3451	0.0000	0.3624	10.0000	AID1063779; AID1073061; AID1162886; AID1250604; AID1802456; AID238722; AID239298; AID270608; AID276331; AID321650; AID329901; AID369067; AID377277; AID450018; AID488649; AID552820; AID595420; AID640425; AID659115; AID747126
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Adenosine receptor A2a	Homo sapiens (human)	EC50 (µMol)	0.0038	0.0003	0.7081	10.0000	AID290339
Adenosine receptor A2b	Homo sapiens (human)	EC50 (µMol)	0.0038	0.0003	0.9461	10.0000	AID290339
Kappa-type opioid receptor	Mus musculus (house mouse)	EC50 (µMol)	0.0555	0.0008	0.8056	4.8860	AID1872133; AID1872137
Mu-type opioid receptor	Homo sapiens (human)	EC50 (µMol)	7.6200	0.0000	0.3263	9.4000	AID1171841; AID1714467; AID595425
Delta-type opioid receptor	Homo sapiens (human)	EC50 (µMol)	10.0000	0.0000	0.4332	8.3000	AID1714469
Kappa-type opioid receptor	Homo sapiens (human)	EC50 (µMol)	0.0184	0.0000	0.2244	8.9900	AID1162887; AID1165895; AID1171840; AID1177510; AID1250606; AID1378294; AID1482220; AID1573387; AID1573406; AID1574674; AID1574680; AID1685502; AID1714468; AID1802457; AID240142; AID240367; AID270609; AID276332; AID290339; AID291861; AID302207; AID321653; AID329906; AID369068; AID378997; AID378998; AID516775; AID552823; AID640395; AID640424; AID659108; AID659121; AID747124
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Mu-type opioid receptor	Homo sapiens (human)	Ke	5.0000	0.0000	0.2488	3.0700	AID379002
Delta-type opioid receptor	Homo sapiens (human)	Ke	5.0000	0.0001	0.6979	9.0700	AID379003
Kappa-type opioid receptor	Homo sapiens (human)	ED50	0.0400	0.0007	1.4569	8.9400	AID595424
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
synaptic transmission, dopaminergic	Adenosine receptor A2a	Homo sapiens (human)
response to amphetamine	Adenosine receptor A2a	Homo sapiens (human)
regulation of DNA-templated transcription	Adenosine receptor A2a	Homo sapiens (human)
phagocytosis	Adenosine receptor A2a	Homo sapiens (human)
apoptotic process	Adenosine receptor A2a	Homo sapiens (human)
inflammatory response	Adenosine receptor A2a	Homo sapiens (human)
cellular defense response	Adenosine receptor A2a	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
cell-cell signaling	Adenosine receptor A2a	Homo sapiens (human)
synaptic transmission, cholinergic	Adenosine receptor A2a	Homo sapiens (human)
central nervous system development	Adenosine receptor A2a	Homo sapiens (human)
blood coagulation	Adenosine receptor A2a	Homo sapiens (human)
sensory perception	Adenosine receptor A2a	Homo sapiens (human)
locomotory behavior	Adenosine receptor A2a	Homo sapiens (human)
blood circulation	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of cell population proliferation	Adenosine receptor A2a	Homo sapiens (human)
response to xenobiotic stimulus	Adenosine receptor A2a	Homo sapiens (human)
response to inorganic substance	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of glutamate secretion	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of acetylcholine secretion, neurotransmission	Adenosine receptor A2a	Homo sapiens (human)
regulation of norepinephrine secretion	Adenosine receptor A2a	Homo sapiens (human)
response to purine-containing compound	Adenosine receptor A2a	Homo sapiens (human)
response to caffeine	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Adenosine receptor A2a	Homo sapiens (human)
synaptic transmission, glutamatergic	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of urine volume	Adenosine receptor A2a	Homo sapiens (human)
vasodilation	Adenosine receptor A2a	Homo sapiens (human)
eating behavior	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of vascular permeability	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of neuron apoptotic process	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of circadian sleep/wake cycle, sleep	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of alpha-beta T cell activation	Adenosine receptor A2a	Homo sapiens (human)
astrocyte activation	Adenosine receptor A2a	Homo sapiens (human)
neuron projection morphogenesis	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of protein secretion	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of inflammatory response	Adenosine receptor A2a	Homo sapiens (human)
regulation of mitochondrial membrane potential	Adenosine receptor A2a	Homo sapiens (human)
membrane depolarization	Adenosine receptor A2a	Homo sapiens (human)
regulation of calcium ion transport	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of synaptic transmission, glutamatergic	Adenosine receptor A2a	Homo sapiens (human)
excitatory postsynaptic potential	Adenosine receptor A2a	Homo sapiens (human)
inhibitory postsynaptic potential	Adenosine receptor A2a	Homo sapiens (human)
prepulse inhibition	Adenosine receptor A2a	Homo sapiens (human)
apoptotic signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of long-term synaptic potentiation	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of chronic inflammatory response to non-antigenic stimulus	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
activation of adenylate cyclase activity	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of cGMP-mediated signaling	Adenosine receptor A2b	Homo sapiens (human)
cGMP-mediated signaling	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of chemokine production	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of interleukin-6 production	Adenosine receptor A2b	Homo sapiens (human)
mast cell degranulation	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of mast cell degranulation	Adenosine receptor A2b	Homo sapiens (human)
relaxation of vascular associated smooth muscle	Adenosine receptor A2b	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Adenosine receptor A2b	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
vasodilation	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Mu-type opioid receptor	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway	Mu-type opioid receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Mu-type opioid receptor	Homo sapiens (human)
sensory perception	Mu-type opioid receptor	Homo sapiens (human)
negative regulation of cell population proliferation	Mu-type opioid receptor	Homo sapiens (human)
sensory perception of pain	Mu-type opioid receptor	Homo sapiens (human)
G protein-coupled opioid receptor signaling pathway	Mu-type opioid receptor	Homo sapiens (human)
behavioral response to ethanol	Mu-type opioid receptor	Homo sapiens (human)
positive regulation of neurogenesis	Mu-type opioid receptor	Homo sapiens (human)
negative regulation of Wnt protein secretion	Mu-type opioid receptor	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Mu-type opioid receptor	Homo sapiens (human)
calcium ion transmembrane transport	Mu-type opioid receptor	Homo sapiens (human)
cellular response to morphine	Mu-type opioid receptor	Homo sapiens (human)
regulation of cellular response to stress	Mu-type opioid receptor	Homo sapiens (human)
regulation of NMDA receptor activity	Mu-type opioid receptor	Homo sapiens (human)
neuropeptide signaling pathway	Mu-type opioid receptor	Homo sapiens (human)
immune response	Delta-type opioid receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Delta-type opioid receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Delta-type opioid receptor	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Delta-type opioid receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Delta-type opioid receptor	Homo sapiens (human)
adult locomotory behavior	Delta-type opioid receptor	Homo sapiens (human)
negative regulation of gene expression	Delta-type opioid receptor	Homo sapiens (human)
negative regulation of protein-containing complex assembly	Delta-type opioid receptor	Homo sapiens (human)
positive regulation of CREB transcription factor activity	Delta-type opioid receptor	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation	Delta-type opioid receptor	Homo sapiens (human)
response to nicotine	Delta-type opioid receptor	Homo sapiens (human)
G protein-coupled opioid receptor signaling pathway	Delta-type opioid receptor	Homo sapiens (human)
eating behavior	Delta-type opioid receptor	Homo sapiens (human)
regulation of mitochondrial membrane potential	Delta-type opioid receptor	Homo sapiens (human)
regulation of calcium ion transport	Delta-type opioid receptor	Homo sapiens (human)
cellular response to growth factor stimulus	Delta-type opioid receptor	Homo sapiens (human)
cellular response to hypoxia	Delta-type opioid receptor	Homo sapiens (human)
cellular response to toxic substance	Delta-type opioid receptor	Homo sapiens (human)
neuropeptide signaling pathway	Delta-type opioid receptor	Homo sapiens (human)
immune response	Kappa-type opioid receptor	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Kappa-type opioid receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Kappa-type opioid receptor	Homo sapiens (human)
chemical synaptic transmission	Kappa-type opioid receptor	Homo sapiens (human)
sensory perception	Kappa-type opioid receptor	Homo sapiens (human)
locomotory behavior	Kappa-type opioid receptor	Homo sapiens (human)
sensory perception of pain	Kappa-type opioid receptor	Homo sapiens (human)
adenylate cyclase-inhibiting opioid receptor signaling pathway	Kappa-type opioid receptor	Homo sapiens (human)
response to insulin	Kappa-type opioid receptor	Homo sapiens (human)
positive regulation of dopamine secretion	Kappa-type opioid receptor	Homo sapiens (human)
negative regulation of luteinizing hormone secretion	Kappa-type opioid receptor	Homo sapiens (human)
response to nicotine	Kappa-type opioid receptor	Homo sapiens (human)
G protein-coupled opioid receptor signaling pathway	Kappa-type opioid receptor	Homo sapiens (human)
maternal behavior	Kappa-type opioid receptor	Homo sapiens (human)
eating behavior	Kappa-type opioid receptor	Homo sapiens (human)
response to estrogen	Kappa-type opioid receptor	Homo sapiens (human)
estrous cycle	Kappa-type opioid receptor	Homo sapiens (human)
response to ethanol	Kappa-type opioid receptor	Homo sapiens (human)
regulation of saliva secretion	Kappa-type opioid receptor	Homo sapiens (human)
behavioral response to cocaine	Kappa-type opioid receptor	Homo sapiens (human)
sensory perception of temperature stimulus	Kappa-type opioid receptor	Homo sapiens (human)
defense response to virus	Kappa-type opioid receptor	Homo sapiens (human)
cellular response to lipopolysaccharide	Kappa-type opioid receptor	Homo sapiens (human)
cellular response to glucose stimulus	Kappa-type opioid receptor	Homo sapiens (human)
positive regulation of p38MAPK cascade	Kappa-type opioid receptor	Homo sapiens (human)
positive regulation of potassium ion transmembrane transport	Kappa-type opioid receptor	Homo sapiens (human)
response to acrylamide	Kappa-type opioid receptor	Homo sapiens (human)
positive regulation of eating behavior	Kappa-type opioid receptor	Homo sapiens (human)
conditioned place preference	Kappa-type opioid receptor	Homo sapiens (human)
neuropeptide signaling pathway	Kappa-type opioid receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Homo sapiens (human)
protein binding	Adenosine receptor A2a	Homo sapiens (human)
calmodulin binding	Adenosine receptor A2a	Homo sapiens (human)
lipid binding	Adenosine receptor A2a	Homo sapiens (human)
enzyme binding	Adenosine receptor A2a	Homo sapiens (human)
type 5 metabotropic glutamate receptor binding	Adenosine receptor A2a	Homo sapiens (human)
identical protein binding	Adenosine receptor A2a	Homo sapiens (human)
protein-containing complex binding	Adenosine receptor A2a	Homo sapiens (human)
alpha-actinin binding	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A2b	Homo sapiens (human)
protein binding	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor activity	Adenosine receptor A2b	Homo sapiens (human)
G-protein alpha-subunit binding	Mu-type opioid receptor	Homo sapiens (human)
G protein-coupled receptor activity	Mu-type opioid receptor	Homo sapiens (human)
beta-endorphin receptor activity	Mu-type opioid receptor	Homo sapiens (human)
voltage-gated calcium channel activity	Mu-type opioid receptor	Homo sapiens (human)
protein binding	Mu-type opioid receptor	Homo sapiens (human)
morphine receptor activity	Mu-type opioid receptor	Homo sapiens (human)
G-protein beta-subunit binding	Mu-type opioid receptor	Homo sapiens (human)
neuropeptide binding	Mu-type opioid receptor	Homo sapiens (human)
G protein-coupled opioid receptor activity	Delta-type opioid receptor	Homo sapiens (human)
protein binding	Delta-type opioid receptor	Homo sapiens (human)
receptor serine/threonine kinase binding	Delta-type opioid receptor	Homo sapiens (human)
G protein-coupled enkephalin receptor activity	Delta-type opioid receptor	Homo sapiens (human)
neuropeptide binding	Delta-type opioid receptor	Homo sapiens (human)
G protein-coupled opioid receptor activity	Kappa-type opioid receptor	Homo sapiens (human)
protein binding	Kappa-type opioid receptor	Homo sapiens (human)
receptor serine/threonine kinase binding	Kappa-type opioid receptor	Homo sapiens (human)
dynorphin receptor activity	Kappa-type opioid receptor	Homo sapiens (human)
neuropeptide binding	Kappa-type opioid receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Adenosine receptor A2a	Homo sapiens (human)
intermediate filament	Adenosine receptor A2a	Homo sapiens (human)
plasma membrane	Adenosine receptor A2a	Homo sapiens (human)
membrane	Adenosine receptor A2a	Homo sapiens (human)
dendrite	Adenosine receptor A2a	Homo sapiens (human)
axolemma	Adenosine receptor A2a	Homo sapiens (human)
asymmetric synapse	Adenosine receptor A2a	Homo sapiens (human)
presynaptic membrane	Adenosine receptor A2a	Homo sapiens (human)
neuronal cell body	Adenosine receptor A2a	Homo sapiens (human)
postsynaptic membrane	Adenosine receptor A2a	Homo sapiens (human)
presynaptic active zone	Adenosine receptor A2a	Homo sapiens (human)
glutamatergic synapse	Adenosine receptor A2a	Homo sapiens (human)
plasma membrane	Adenosine receptor A2b	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Adenosine receptor A2b	Homo sapiens (human)
presynapse	Adenosine receptor A2b	Homo sapiens (human)
glutamatergic synapse	Adenosine receptor A2b	Homo sapiens (human)
plasma membrane	Adenosine receptor A2b	Homo sapiens (human)
plasma membrane	Kappa-type opioid receptor	Mus musculus (house mouse)
endosome	Mu-type opioid receptor	Homo sapiens (human)
endoplasmic reticulum	Mu-type opioid receptor	Homo sapiens (human)
Golgi apparatus	Mu-type opioid receptor	Homo sapiens (human)
plasma membrane	Mu-type opioid receptor	Homo sapiens (human)
axon	Mu-type opioid receptor	Homo sapiens (human)
dendrite	Mu-type opioid receptor	Homo sapiens (human)
perikaryon	Mu-type opioid receptor	Homo sapiens (human)
synapse	Mu-type opioid receptor	Homo sapiens (human)
plasma membrane	Mu-type opioid receptor	Homo sapiens (human)
neuron projection	Mu-type opioid receptor	Homo sapiens (human)
plasma membrane	Delta-type opioid receptor	Homo sapiens (human)
synaptic vesicle membrane	Delta-type opioid receptor	Homo sapiens (human)
dendrite membrane	Delta-type opioid receptor	Homo sapiens (human)
presynaptic membrane	Delta-type opioid receptor	Homo sapiens (human)
axon terminus	Delta-type opioid receptor	Homo sapiens (human)
spine apparatus	Delta-type opioid receptor	Homo sapiens (human)
postsynaptic density membrane	Delta-type opioid receptor	Homo sapiens (human)
neuronal dense core vesicle	Delta-type opioid receptor	Homo sapiens (human)
plasma membrane	Delta-type opioid receptor	Homo sapiens (human)
neuron projection	Delta-type opioid receptor	Homo sapiens (human)
nucleoplasm	Kappa-type opioid receptor	Homo sapiens (human)
mitochondrion	Kappa-type opioid receptor	Homo sapiens (human)
cytosol	Kappa-type opioid receptor	Homo sapiens (human)
plasma membrane	Kappa-type opioid receptor	Homo sapiens (human)
membrane	Kappa-type opioid receptor	Homo sapiens (human)
sarcoplasmic reticulum	Kappa-type opioid receptor	Homo sapiens (human)
T-tubule	Kappa-type opioid receptor	Homo sapiens (human)
dendrite	Kappa-type opioid receptor	Homo sapiens (human)
synaptic vesicle membrane	Kappa-type opioid receptor	Homo sapiens (human)
presynaptic membrane	Kappa-type opioid receptor	Homo sapiens (human)
perikaryon	Kappa-type opioid receptor	Homo sapiens (human)
axon terminus	Kappa-type opioid receptor	Homo sapiens (human)
postsynaptic membrane	Kappa-type opioid receptor	Homo sapiens (human)
plasma membrane	Kappa-type opioid receptor	Homo sapiens (human)
neuron projection	Kappa-type opioid receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (233)

Assay ID	Title	Year	Journal	Article
AID291860	Antagonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay	2007	Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.
AID1481858	Displacement of 3H-U69593 from KOR I294A mutant (unknown origin)	2017	Journal of medicinal chemistry, 04-13, Volume: 60, Issue:7	Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor.
AID1482222	Agonist activity at human delta-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation up to 10 uM after 30 mins in presence of forskolin by luminescence-based HitHunter cAMP assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID252003	In vivo antinociceptive activity against opioid receptor in mouse tail flick test	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1573406	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK cells co-expressing luciferase based cAMP biosensor assessed as increase in cAMP accumulation after 20 to 30 mins by luciferase reporter gene assay	2018	Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22	Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential.
AID1073061	Binding affinity to kappa opioid receptor (unknown origin) expressed in HEK293 cells by radioligand displacement assay	2014	Journal of natural products, Mar-28, Volume: 77, Issue:3	A perspective on natural products research and ethnopharmacology in Mexico: the eagle and the serpent on the prickly pear cactus.
AID747129	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands.
AID238721	Inhibition of [125I]- IOXY binding to human Opioid receptor delta1	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID276333	Efficacy at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay relative to U50,488H	2006	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 16, Issue:21	Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues.
AID317047	Ratio of Ki for rat kappa opioid receptor Y139F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1063779	Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	The synthesis and comparative receptor binding affinities of novel, isomeric pyridoindolobenzazepine scaffolds.
AID1685504	Agonist activity at human DOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID640423	Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by liquid scintillation counting relative to U50,488H	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID516775	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding	2010	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 20, Issue:19	Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.
AID488650	Selectivity ratio of Ki for mu opioid receptor to kappa opioid receptor	2010	Bioorganic & medicinal chemistry, Jun-15, Volume: 18, Issue:12	Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.
AID1482220	Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 30 mins in presence of forskolin by luminescence-based HitHunter cAMP assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1171841	Agonist activity at human MOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assay	2014	Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24	Synthesis and κ-opioid receptor activity of furan-substituted salvinorin A analogues.
AID317020	Displacement of [3H]diprenorphine from rat kappa opioid receptor I316A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317041	Ratio of Ki for rat kappa opioid receptor I294A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID270608	Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells	2006	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17	Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).
AID1482236	Analgesic activity in formalin-induced B6-SJL mouse pain model assessed as inhibition of inflammatory response at 2 mg/kg, ip preincubated for 10 mins followed by formalin injection measured at 20 to 50 mins	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1482235	Antiinflammatory activity in B6-SJL mouse assessed as reduction in formalin-induced paw edema at 2 mg/kg, ip preincubated for 10 mins followed by formalin injection measured at 60 mins	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1250609	Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes at 3 uM	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID317019	Displacement of [3H]diprenorphine from rat kappa opioid receptor I294A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1482230	Analgesic activity in formalin-induced B6-SJL mouse pain model assessed as inhibition of nociceptive response at 2 mg/kg, ip preincubated for 10 mins followed by formalin injection measured at 5 to 10 mins	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1177511	Antiproliferative activity against human MCF7 cells assessed as growth inhibition after 72 hrs by MTS/PMS assay	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID240469	Stimulatory effect on [35S]GTP gammaS binding to Opioid receptor delta 1 expressed in CHO cells compared to 500 nM SNC80; ND = Not determined	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID290339	Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B.
AID240468	Stimulatory effect on [35S]-GTP gammaS binding to Opioid receptor mu1 expressed in CHO cells compared to 10 uM DAMGO; ND = Not determined	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID659123	In vivo binding affinity to kappa opioid receptor in iv dosed rhesus monkey assessed as rightward shift in serum prolactin level administered every 20 mins measured every 15 mins by immunoradiometric analysis	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID317044	Ratio of Ki for rat kappa opioid receptor Y119A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1685503	Agonist activity at human KOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay relative to DAMGO	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID379003	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as DPDPE-stimulated [35S]GTPgammaS binding	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID317018	Displacement of [3H]diprenorphine from rat kappa opioid receptor I290A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317031	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y320A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1685510	Activity at human MOR expressed in U2OS cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment by Tango assay relative to control	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID329902	Selectivity for human recombinant kappa opioid receptor over human recombinant mu opioid receptor	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID659108	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID239396	Inhibition of [3H]U-69593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist.
AID244188	Relative affinity for human opioid receptor mu1 and kappa1; (ND= not determined)	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID317021	Displacement of [3H]diprenorphine from rat kappa opioid receptor Q115A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1573387	Agonist activity at kappa opioid receptor (unknown origin) assessed as increase in venus-tagged N-terminal beta-arrestin-2 recruitment by BRET assay	2018	Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22	Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential.
AID1250606	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID1165895	Agonist activity at KOR (unknown origin)	2014	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 24, Issue:20	Synthesis of a novel universal opioid receptor agonist with the 1,3,5-trioxazatriquinane skeleton and its pharmacologies.
AID552819	Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID329905	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay relative to DAMGO	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID640430	Ratio of EC50 for agonist activity at human KOPR expressed in U2OS cells assessed as beta-arrestin2 recruitment to EC50 for agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID640424	Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by liquid scintillation counting	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID240142	Stimulation of [35S]GTP-gamma-S, binding to Opioid receptor kappa1 expressed in CHO cells	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID244153	Relative affinity for human opioid receptor delta1 and kappa1	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1714468	Agonist activity at human kappa opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID1250610	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes at 3 uM	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID1573408	Agonist activity at kappa opioid receptor (unknown origin) assessed as increase in venus-tagged N-terminal beta-arrestin-2 recruitment by BRET assay relative to control	2018	Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22	Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential.
AID1177510	Agonist activity at human kappa opioid receptor expressed CHO cells co-expressing Galphaq16 assessed as calcium mobilization by fluorescence assay	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID377277	Displacement of [125]OXY from kappa opioid receptor	2006	Journal of natural products, Jun, Volume: 69, Issue:6	Synthesis of salvinorin A analogues as opioid receptor probes.
AID317049	Ratio of Ki for rat kappa opioid receptor Y312A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1171840	Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assay	2014	Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24	Synthesis and κ-opioid receptor activity of furan-substituted salvinorin A analogues.
AID450018	Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and pharmacological evaluation of 6-naltrexamine analogs for alcohol cessation.
AID240367	Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).
AID1685502	Agonist activity at human KOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID1482224	Metabolic stability in IGS Sprague-Dawley rat liver microsomes assessed as CYP450-mediated oxidative metabolism at 10 uM measured at 2.5 hrs in presence of NADPH by LC-MS analysis	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID291859	Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay	2007	Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.
AID290338	Displacement of [3H]U-69593 from rat cloned KOR	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B.
AID329907	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay relative to (-)-U50,488	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID659118	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting relative to (-)U50488	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID488649	Binding affinity to kappa opioid receptor	2010	Bioorganic & medicinal chemistry, Jun-15, Volume: 18, Issue:12	Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.
AID317039	Ratio of Ki for rat kappa opioid receptor K227A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1872138	Antinociceptive activity in icv dosed mouse assessed as tail flick latency	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID317036	Ratio of Ki for rat kappa opioid receptor I62A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317017	Displacement of [3H]diprenorphine from rat kappa opioid receptor K227A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1177515	Apparent permeability from basolateral side to apical in verapamil pretreated MDCK cells expressing MDR1 at 10 uM after 60 mins by LC/MS analysis	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID595423	Agonist activity at kappa opioid receptor assessed as stimulation of [35S]GTPgammaS binding relative to U50488	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID317034	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317050	Ratio of Ki for rat kappa opioid receptor Y312F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317054	Ratio of Ki for rat kappa opioid receptor Y320F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID329904	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID1714469	Agonist activity at human delta opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID379000	Ratio of EC50 for drug to U69593 at human kappa opioid receptor by [35S]GTPgammaS binding in CHO cells	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID1574674	Agonist activity at human KOR expressed in HEK293T cells assessed as inhibition of Galphai-mediated cAMP accumulation after 15 mins by microbeta counting assay	2019	Journal of medicinal chemistry, 01-24, Volume: 62, Issue:2	Development of Novel Quinoxaline-Based κ-Opioid Receptor Agonists for the Treatment of Neuroinflammation.
AID516777	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells at 3 uM	2010	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 20, Issue:19	Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.
AID1250604	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID329903	Selectivity for human recombinant kappa opioid receptor over human recombinant delta opioid receptor	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID1378294	Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence-based assay	2017	Journal of natural products, 07-28, Volume: 80, Issue:7	Semisynthesis and Kappa-Opioid Receptor Activity of Derivatives of Columbin, a Furanolactone Diterpene.
AID317022	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y119A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317037	Ratio of Ki for rat kappa opioid receptor Y66A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID595421	Selectivity ratio of Ki for mu opioid receptor to Ki for kappa opioid receptor	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID329901	Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID595422	Selectivity ratio of Ki for delta opioid receptor to Ki for kappa opioid receptor	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID276332	Binding potency at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay	2006	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 16, Issue:21	Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues.
AID317029	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y313A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1250608	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes at 3 uM	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID1685501	Agonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay relative to DAMGO	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID377276	Displacement of [125]OXY from delta opioid receptor	2006	Journal of natural products, Jun, Volume: 69, Issue:6	Synthesis of salvinorin A analogues as opioid receptor probes.
AID659122	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as calcium mobilization after 1 hrs by fluorescence analysis relative to U69593	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID595420	Displacement of [3H]U69593 from kappa opioid receptor	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID1162886	Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor.
AID1685507	Activity at human MOR expressed in CHOK1 cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment measured after 90 mins by PathHunter assay relative to control	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID552818	Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID243417	Activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding compared to U50,488H	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).
AID317024	Displacement of [3H]diprenorphine from rat kappa opioid receptor D138A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1181587	Induction of aversion in ICR-CD1 mouse at 0.1 to 1 mg/kg, sc by conditioned place preference assay	2014	Journal of medicinal chemistry, Aug-14, Volume: 57, Issue:15	Putative kappa opioid heteromers as targets for developing analgesics free of adverse effects.
AID369071	Binding affinity to mouse DOPR expressed in CHO cells	2009	Bioorganic & medicinal chemistry, Feb-01, Volume: 17, Issue:3	Modification of the furan ring of salvinorin A: identification of a selective partial agonist at the kappa opioid receptor.
AID747124	Agonist activity at kappa opioid receptor in human HEK293 cells assessed as stimulation of Galphai signaling by cAMP assay	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands.
AID1872137	Agonist activity at C57BL6/J mouse brain KOP	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID378997	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID1482234	Analgesic activity in formalin-induced B6-SJL mouse pain model assessed as inhibition of inflammatory response AUC at 2 mg/kg, ip preincubated for 10 mins followed by formalin injection measured at 15 to 60 mins	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1481857	Displacement of 3H-U69593 from KOR H291A mutant (unknown origin)	2017	Journal of medicinal chemistry, 04-13, Volume: 60, Issue:7	Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor.
AID1685508	Bias factor, ratio of biased agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as stimulation of beta-arrestin2 EFC recruitment to biased agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as inhibi	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID1714489	Agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production up to 10 uM measured after 30 mins by HitHunter luminescence based assay relative to control	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID595425	Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID378996	Agonist activity at human kappa opioid receptor expressed in CHO cells relative by [35S]GTPgammaS binding to U69593	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID317026	Displacement of [3H]diprenorphine from rat kappa opioid receptor E297A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID369068	Agonist activity at human KOPR expressed in CHO cells assessed as enhancement of [35S]GTPgammaS binding	2009	Bioorganic & medicinal chemistry, Feb-01, Volume: 17, Issue:3	Modification of the furan ring of salvinorin A: identification of a selective partial agonist at the kappa opioid receptor.
AID317057	Displacement of [3H]diprenorphine from chimeric rat mu opioid receptor (1-150)/kappa opioid receptor (142-227)/mu opioid receptor (234-398) expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID595424	Agonist activity at kappa opioid receptor assessed as stimulation of [35S]GTPgammaS binding	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID246847	In vivo opioid receptor activity in mouse tail flick assay	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID747128	Displacement of [3H]DADLE from delta opioid receptor (unknown origin)	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands.
AID317027	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y312A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID377279	Selectivity ratio of Ki for delta opioid receptor to kappa opioid receptor	2006	Journal of natural products, Jun, Volume: 69, Issue:6	Synthesis of salvinorin A analogues as opioid receptor probes.
AID379002	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as DAMGO-stimulated [35S]GTPgammaS binding	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID321652	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.
AID659115	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID317038	Ratio of Ki for rat kappa opioid receptor Y66F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID552821	Selectivity ratio of Ki for mu opioid receptor to Ki for kappa opioid receptor	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID317025	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y139F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1250607	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding relative to U50,488H	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID252099	In vivo antinociceptive activity against opioid receptor in mouse hot plate writhing assay; No inhibition (inactive at 30 uM)	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1685511	Bias factor, ratio of biased agonist activity at human mu opiod receptor expressed in U2OS cells assessed as stimulation of beta-arrestin2 EFC recruitment to biased agonist activity at human mu opiod receptor expressed in U2OS cells assessed as inhibition	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID238663	Inhibition of [125I]- IOXY binding to human Opioid receptor mu1	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1714491	Agonist activity at human delta opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production up to 10 uM measured after 30 mins by HitHunter luminescence based assay relative to control	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID1872139	Antinociceptive activity in sc dosed mouse assessed as tail flick latency	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID1872132	Displacement of [3H]U69593 from C57BL6/J mouse brain KOP	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID317048	Ratio of Ki for rat kappa opioid receptor E297A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID321650	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.
AID516779	Displacement of [3H]diprenorphine from mouse FLAG-tagged delta opioid receptor expressed in CHO cells at 3 uM	2010	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 20, Issue:19	Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.
AID291862	Activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay relative to U69593	2007	Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.
AID552822	Selectivity ratio of Ki for delta opioid receptor to Ki for kappa opioid receptor	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID1162887	Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor.
AID1714472	Selectivity ratio of EC50 for agonist activity at human kappa opiod receptor expressed in CHO-K1 cells to EC50 for agonist activity at human mu opiod receptor expressed in CHO-K1 cells	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID321654	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to U50488H	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.
AID270609	Enhancement of [35S]GTP-gamma-S binding to human KOR expressed in CHO cells	2006	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17	Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).
AID270610	Enhancement of [35S]GTP-gamma-S binding to human KOR expressed in CHO cells relative to U50,488H	2006	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17	Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).
AID1482223	Agonist activity at human mu-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation up to 10 uM after 30 mins in presence of forskolin by luminescence-based HitHunter cAMP assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1250603	Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID317030	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y313F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID238722	Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1685506	Activity at human MOR expressed in CHOK1 cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment measured after 90 mins by PathHunter assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID1714486	Agonist activity at human kappa opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay relative to control	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID1481852	Ratio of Ki for KOR M142A mutant (unknown origin) to Ki for human KOR expressed in HEK293 cells	2017	Journal of medicinal chemistry, 04-13, Volume: 60, Issue:7	Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor.
AID552823	Agonist activity at kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID302207	Agonist activity at human kappa opioid receptor assessed as inhibition of Galpha-16-induced calcium flux	2007	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 17, Issue:22	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: exploration of the 1-position.
AID595418	Displacement of [3H]DADLE from delta opioid receptor	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID640427	Displacement of [3H]diprenorphine from rat MOPR expressed in CHO cells at 3 uM	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID552820	Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells	2011	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 21, Issue:1	Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids.
AID659121	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as calcium mobilization after 1 hrs by fluorescence analysis	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID378998	Agonist activity at human kappa opioid receptor-Galpha-16 fusion protein expressed in CHO cells by calcium flux assay	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID747126	Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands.
AID246888	In vivo opioid receptor activity in mouse p-phenylquinone writhing assay	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID329899	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID369069	Agonist activity at human KOPR expressed in CHO cells assessed as enhancement of [35S]GTPgammaS binding at 10 uM relative to U50488	2009	Bioorganic & medicinal chemistry, Feb-01, Volume: 17, Issue:3	Modification of the furan ring of salvinorin A: identification of a selective partial agonist at the kappa opioid receptor.
AID317045	Ratio of Ki for rat kappa opioid receptor Y119F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317033	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1685505	Agonist activity at human DOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay relative to DAMGO	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID1685500	Agonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID1177514	Apparent permeability from basolateral side to apical in MDCK cells expressing MDR1 at 10 uM after 60 mins by LC/MS analysis	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID516778	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells at 3 uM	2010	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 20, Issue:19	Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.
AID317014	Displacement of [3H]diprenorphine from rat kappa opioid receptor I62A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317053	Ratio of Ki for rat kappa opioid receptor Y320A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID377278	Selectivity ratio of Ki for mu opioid receptor to kappa opioid receptor	2006	Journal of natural products, Jun, Volume: 69, Issue:6	Synthesis of salvinorin A analogues as opioid receptor probes.
AID640428	Agonist activity at KOPR expressed in human U2OS cells co-expressing GFP-tagged beta-arrestin2 assessed as translocation of GFP-tagged beta-arrestin2 at 10 uM incubated 120 mins in serum deprived medium prior drug addition measured after 10 mins by confoc	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID640425	Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID516774	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding at 240 nM relative to U50488H	2010	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 20, Issue:19	Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.
AID1482229	Analgesic activity in B6-SJL mouse assessed as increase in tail withdrawal latency at 0.3 to 10 mg/kg, sc measured 30 mins post each dose by warm water tail withdrawal assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID276331	Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells	2006	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 16, Issue:21	Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues.
AID317056	Displacement of [3H]diprenorphine from chimeric rat kappa opioid receptor (1-141)/mu opioid receptor (151-233)/kappa opioid receptor (228-380) expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317023	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y119F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317028	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y312F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID240231	Stimulation of [35S]-GTP gammaS binding to Opioid receptor delta 1 expressed in CHO cells; ND = Not determined	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1482221	Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation up to 10 uM after 30 mins in presence of forskolin by luminescence-based HitHunter cAMP assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1482225	Metabolic stability in IGS Sprague-Dawley rat liver microsomes at 10 uM measured at 2.5 hrs in absence of NADPH by LC-MS analysis	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID659112	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID317051	Ratio of Ki for rat kappa opioid receptor Y313A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1573407	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK cells co-expressing luciferase based cAMP biosensor assessed as increase in cAMP accumulation after 20 to 30 mins by luciferase reporter gene assay relative to control	2018	Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22	Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential.
AID239298	Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).
AID240209	Stimulation of [35S]GTP-gamma-S, binding to Opioid receptor mu1 expressed in CHO cells; ND = Not determined	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID244145	Relative affinity for human opioid receptor mu1 and kappa1	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID302208	Efficacy at human kappa opioid receptor assessed as inhibition of Galpha-16-induced calcium flux relative to U69,593	2007	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 17, Issue:22	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: exploration of the 1-position.
AID1482233	Analgesic activity in formalin-induced B6-SJL mouse pain model assessed as inhibition of nociceptive response AUC at 2 mg/kg, ip preincubated for 10 mins followed by formalin injection measured up to 15 mins	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID1177513	Agonist activity at human kappa opioid receptor expressed CHO cells co-expressing Galphaq16 assessed as calcium mobilization by fluorescence assay relative to (-)-U69593	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID240464	Stimulatory effect on [35S]GTP gammaS binding to Opioid receptor kappa1 expressed in CHO cells compared to 500 nM U50,488	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID595426	Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding relative to control	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.
AID1685509	Activity at human MOR expressed in U2OS cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment by Tango assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8	G-Protein biased opioid agonists: 3-hydroxy-
AID378999	Agonist activity at human kappa opioid receptor-Galpha-16 fusion protein expressed in CHO cells by calcium flux assay relative to U69593	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID291861	Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay	2007	Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.
AID329900	Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID369070	Binding affinity to rat MOPR expressed in CHO cells	2009	Bioorganic & medicinal chemistry, Feb-01, Volume: 17, Issue:3	Modification of the furan ring of salvinorin A: identification of a selective partial agonist at the kappa opioid receptor.
AID317013	Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID369067	Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells	2009	Bioorganic & medicinal chemistry, Feb-01, Volume: 17, Issue:3	Modification of the furan ring of salvinorin A: identification of a selective partial agonist at the kappa opioid receptor.
AID317040	Ratio of Ki for rat kappa opioid receptor I290A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1250605	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes	2015	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20	Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective κ-opioid receptor agonists.
AID317016	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y66F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317015	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y66A mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID317042	Ratio of Ki for rat kappa opioid receptor I316A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1482226	Analgesic activity in B6-SJL mouse assessed as increase in tail withdrawal latency at 2 mg/kg, ip measured up to 5 to 30 mins by warm water tail withdrawal assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID317046	Ratio of Ki for rat kappa opioid receptor D138A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1177512	Antiproliferative activity against human MCF7 cells assessed as growth inhibition after 72 hrs by MTS/PMS assay relative to DNSO-treated control	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A.
AID329906	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Herkinorin analogues with differential beta-arrestin-2 interactions.
AID1872032	Binding affinity to DOP (unknown origin)	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID377275	Displacement of [125]OXY from mu opioid receptor	2006	Journal of natural products, Jun, Volume: 69, Issue:6	Synthesis of salvinorin A analogues as opioid receptor probes.
AID1162885	Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor.
AID317032	Displacement of [3H]diprenorphine from rat kappa opioid receptor Y320F mutant expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID379001	Ratio of EC50 for drug to U69593 at human kappa opioid receptor by calcium flux assay	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.
AID246129	Effective concentration of compound against intracellular calcium mobilization in rat	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist.
AID317043	Ratio of Ki for rat kappa opioid receptor Q115A mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID321651	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.
AID1574680	Agonist activity at Tango-KOR (unknown origin) expressed in HTLA cells harboring TEV-fused-beta-arrestin 2 assessed as increase in beta arrestin 2 recruitment after overnight incubation by BrightGlo reagent based assay	2019	Journal of medicinal chemistry, 01-24, Volume: 62, Issue:2	Development of Novel Quinoxaline-Based κ-Opioid Receptor Agonists for the Treatment of Neuroinflammation.
AID1714467	Agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay	2016	Journal of medicinal chemistry, 12-22, Volume: 59, Issue:24	Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.
AID640395	Agonist activity at human KOPR expressed in U2OS cells assessed as beta-arrestin2 recruitment after 90 mins by DiscoveRx PathHunter assay	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues.
AID1162884	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor.
AID1872133	Agonist activity at C57BL6/J mouse brain KOP by calcium mobilization assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID252100	In vivo antinociceptive activity against opioid receptor in mouse p-phenylquinone writhing test; No inhibition (inactive at 1 uM)	2005	Journal of medicinal chemistry, Jul-28, Volume: 48, Issue:15	Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.
AID1872031	Binding affinity to MOP (unknown origin)	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources.
AID659109	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	2012	Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9	Semisynthetic neoclerodanes as kappa opioid receptor probes.
AID247120	Emax value against intracellular calcium mobilization in rat	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist.
AID1482228	Analgesic activity in sc dosed B6-SJL mouse assessed as increase in tail withdrawal latency measured 30 mins post each dose by warm water tail withdrawal assay	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.
AID321653	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.
AID317052	Ratio of Ki for rat kappa opioid receptor Y313F mutant to Ki for rat wild type kappa opioid receptor expressed in HEK293 cells	2008	Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6	Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.
AID1802457	cAMP Inhibition Assay from Article 10.1074/jbc.M113.515668: \\Chemotype-selective modes of action of u00BF-opioid receptor agonists.\\	2013	The Journal of biological chemistry, Nov-29, Volume: 288, Issue:48	Chemotype-selective modes of action of κ-opioid receptor agonists.
AID1802456	Homologous Competition Assay from Article 10.1074/jbc.M113.515668: \\Chemotype-selective modes of action of u00BF-opioid receptor agonists.\\	2013	The Journal of biological chemistry, Nov-29, Volume: 288, Issue:48	Chemotype-selective modes of action of κ-opioid receptor agonists.
AID1346329	Human kappa receptor (Opioid receptors)	2002	Proceedings of the National Academy of Sciences of the United States of America, Sep-03, Volume: 99, Issue:18	Salvinorin A: a potent naturally occurring nonnitrogenous kappa opioid selective agonist.
AID1346329	Human kappa receptor (Opioid receptors)	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1645871	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling in pH 5 buffer	2022	Bioorganic & medicinal chemistry, 02-15, Volume: 56	Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailability.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (0.42)	18.2507
2000's	98 (40.83)	29.6817
2010's	119 (49.58)	24.3611
2020's	22 (9.17)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	7 (2.83%)	5.53%
Reviews	33 (13.36%)	6.00%
Case Studies	4 (1.62%)	4.05%
Observational	0 (0.00%)	0.25%
Other	203 (82.19%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
A Double Blind Placebo Controlled Ascending Dose Pharmacodynamic and Tolerability Study of 100 to 4000 µg of Sublingual Salvinorin A [NCT01149824]		8 participants (Actual)	Interventional	2009-06-30	Completed
[NCT00996411]	Phase 1	14 participants (Anticipated)	Interventional	2008-11-30	Completed
Effects of Salvinorin A on Brain Function [NCT03418714]	Phase 1/Phase 2	13 participants (Actual)	Interventional	2017-12-14	Completed
Psychotomimetic Effects of Kappa Opioid Receptor Agonist Salvinorin A in Healthy Controls [NCT00700596]	Early Phase 1	105 participants (Actual)	Interventional	2009-02-12	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial	Outcome
NCT03418714 (2) [back to overview]	Changes in Brain Activity (fMRI) as Assessed by Variance in BOLD Signal
NCT03418714 (2) [back to overview]	Changes in Brain Connectivity (fMRI) as Assessed by Pearson's Correlation

Intervention	variance in BOLD signal (Mean)
	MF activity	FP activity	DM activity	SubC activity	SM activity	MedV activity	OccP activity	LatV activity
Salvinorin A Administration	15.65	18.06	23.39	8.93	13.06	26.15	16.96	9.30

Intervention	Z-transformed Pearson's correlation (Mean)
	MF within-network connectivity	FP within-network connectivity	DM within-network connectivity	SubC within-network connectivity	SM within-network connectivity	MedV within-network connectivity	OccP within-network connectivity	LatV within-network connectivity	MF-FP between-network connectivity	MF-DM between-network connectivity	MF-SubC between-network connectivity	MF-SM between-network connectivity	MF-MedV between-network connectivity	MF-OccP between-network connectivity	MF-LatV between-network connectivity	FP-DM between-network connectivity	FP-SubC between-network connectivity	FP-SM between-network connectivity	FP-MedV between-network connectivity	FP-OccP between-network connectivity	FP-LatV between-network connectivity	DM-SubC between-network connectivity	DM-SM between-network connectivity	DM-MedV between-network connectivity	DM-OccP between-network connectivity	DM-LatV between-network connectivity	SubC-SM between-network connectivity	SubC-MedV between-network connectivity	SubC-OccP between-network connectivity	SubC-LatV between-network connectivity	SM-MedV between-network connectivity	SM-OccP between-network connectivity	SM-LatV between-network connectivity	MedV-OccP between-network connectivity	MedV-LatV between-network connectivity	OccP-LatV between-network connectivity
Salvinorin A Administration	.01	.05	.09	.01	.05	.06	.05	.02	.02	.02	.00	.01	.01	.05	.01	.03	.01	.03	.01	.04	.02	.01	.02	.02	.02	.02	.00	.02	.01	.01	.02	.04	.01	.02	.06	.03

Substance	Relationship Strength	Studies	Trials	Classes	Roles
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	2.03	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.05	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	2.07	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	2.02	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
croton oil [no description available]	2.04	1	0	N-acyl-hexosamine
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	3.27	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.06	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.55	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
bremazocine [no description available]	2.05	1	0
sk&f 82958 [no description available]	3.27	1	0	benzazepine
ibotenic acid Ibotenic Acid: A neurotoxic isoxazole (similar to KAINIC ACID and MUSCIMOL) found in AMANITA mushrooms. It causes motor depression, ataxia, and changes in mood, perceptions and feelings, and is a potent excitatory amino acid agonist.	2.11	1	0	non-proteinogenic alpha-amino acid	neurotoxin
sk&f 77434 SK&F 77434: a dopamine D1 receptor partial agonist. N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.	3.27	1	0	benzazepine; catechols; tertiary amino compound	dopamine agonist
sk&f-38393 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.. 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393	3.27	1	0	benzazepine; catechols; secondary amino compound
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.21	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
n-methyl-3,4-methylenedioxyamphetamine N-Methyl-3,4-methylenedioxyamphetamine: An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy.. 3,4-methylenedioxymethamphetamine : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.	4.06	2	0	amphetamines; benzodioxoles	neurotoxin
jtv519 [no description available]	3.78	2	0
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	2.21	1	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
am 251 AM 251: an analog of SR141716A; structure given in first source. AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor.	2.05	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
dan 2163 [no description available]	3.78	2	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	2.1	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.	2.21	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	2.21	1	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.21	1	0	1-benzofurans; aromatic ketone	uricosuric drug
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	3.78	2	0
bufexamac Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.	2.21	1	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine cadralazine: structure given in first source	3.78	2	0	organic molecular entity
caffeine [no description available]	2.1	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
carvedilol [no description available]	2.21	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.21	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness	2.21	1	0	diarylmethane
chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.	2.1	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	2.1	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ci 994 tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.	2.21	1	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.	2.1	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	2.1	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
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	2.05	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
fenbendazole Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	2.21	1	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
fenfluramine Fenfluramine: A centrally active drug that apparently both blocks serotonin uptake and provokes transport-mediated serotonin release.. fenfluramine : A secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.	3.14	1	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
fenoldopam Fenoldopam: A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation.	3.27	1	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
fentanyl Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.	3.27	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flunitrazepam Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.. flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.	3.12	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
go 6976 [no description available]	2.21	1	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
gr 89696 GR 89696: a potent & selective kappa opioid receptor agonist; RN given refers to (E)-2-butenedioate(1:1); RN for parent cpd not available 11/92; GR 103545 is the (R)-isomer	2.11	1	0	acetamides
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	4.2	4	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
homochlorocyclizine homochlorocyclizine: RN given refers to parent cpd	3.78	2	0	diarylmethane
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	2.21	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ici 204448 ICI 204448: kappa opioid receptor agonist; structure given in first source	2.07	1	0	monocarboxylic acid
ifenprodil ifenprodil: NMDA receptor antagonist	3.78	2	0	piperidines
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	2.07	1	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone ZM39923: structure in first source	2.21	1	0	naphthalenes
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	4.08	4	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
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.	3.51	1	1	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.52	2	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
loperamide Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	2.46	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.17	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
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.	3.78	2	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.	2.21	1	0	aromatic ether; glycerol ether
modafinil Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.. 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.	7.05	1	0	monocarboxylic acid amide; sulfoxide
1-(3-trifluoromethylphenyl)piperazine 1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure. 1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug.	3.12	1	0	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	2.21	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
oxibendazole oxibendazole: structure	2.21	1	0	benzimidazoles; carbamate ester
oxymetazoline Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251). oxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.	2.1	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	2.1	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine 4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source	3.78	2	0
pentazocine [no description available]	2.21	1	0	benzazocine
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.21	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	3.78	2	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.21	1	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
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.	2.5	2	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ro 31-8220 Ro 31-8220: a protein kinase C inhibitor	2.21	1	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole [no description available]	2.21	1	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
sb 206553 SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source	2.1	1	0	pyrroloindole
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.21	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.21	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine zotepine: structure	3.78	2	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
lysergic acid diethylamide Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.. lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.	8.83	3	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	2.25	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	7.48	2	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	2.03	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	3.78	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	2.05	1	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	2.21	1	0	aromatic ketone
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	2.06	1	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.05	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
2-propylamine 2-propylamine: RN given refers to parent cpd	2.05	1	0	alkylamines; primary aliphatic amine
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	8.53	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
n-methylacetamide N-methylacetamide: RN given refers to parent cpd. N-methylacetamide : A monocarboxylic acid amide that is the N-methyl derivative of acetamide.	7.04	1	0	acetamides; monocarboxylic acid amide	metabolite
cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.	2.21	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
decalin decalin: RN given refers to cpd without isomeric designation; don't confuse with decaline which has a nitrogen at the juncture of the two rings;. trans-decalin : The trans-stereoisomer of decalin.. decalin : An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene.	7.48	2	0	ortho-fused bicyclic hydrocarbon	solvent
synephrine [no description available]	2.03	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	3.12	1	0	butan-4-olide	metabolite; neurotoxin
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.05	1	0	aldehyde; furans	Maillard reaction product; metabolite
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	2.21	1	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	2.21	1	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.	2.41	1	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.	2.05	1	0	cyclohexanols; secondary alcohol	solvent
furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.	7.78	3	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	3.27	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
ergotamine Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.. ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.	3.63	2	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
4-tert-octylphenol 4-tert-octylphenol: structure given in first source	2.21	1	0	alkylbenzene
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.	2.1	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.21	1	0	methoxybenzenes; phenols
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	2.54	2	0	ergoline alkaloid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	3.78	2	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2.11	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid.	3.12	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	3.78	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
psilocybin Psilocybin: The major of two hallucinogenic components of Teonanacatl, the sacred mushroom of Mexico, the other component being psilocin. (From Merck Index, 11th ed). psilocybin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms").	3.12	1	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	3.12	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	2.07	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
etonitazene etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals	3.78	2	0
potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH	2.02	1	0	alkali metal hydroxide
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	2.05	1	0	alkali metal hydroxide
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	3.6	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
clothiapine clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine	3.78	2	0	dibenzothiazepine
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	3.78	2	0	aromatic ketone
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.21	1	0	phenothiazines
flupenthixol Flupenthixol: A thioxanthene neuroleptic that, unlike CHLORPROMAZINE, is claimed to have CNS-activating properties. It is used in the treatment of psychoses although not in excited or manic patients. (From Martindale, The Extra Pharmacopoeia, 30th ed, p595). flupenthixol : A thioxanthene derivative having a trifluoromethyl substituent at the 2-position and a 3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene group at the 10-position with undefined double bond stereochemistry.	2.07	1	0	thioxanthenes
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	7.46	2	0	metal allergen; nickel group element atom; platinum group metal atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	2.13	1	0	titanium group element atom
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.21	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	7.02	1	0	dihydrogen
etorphine Etorphine: A narcotic analgesic morphinan used as a sedative in veterinary practice.	2.04	1	0
thenalidine thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure	3.78	2	0	dialkylarylamine; tertiary amino compound
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.21	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	3.27	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer	3.78	2	0	chlorphenamine
dv 1006 [no description available]	2.21	1	0
climbazole 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.	2.21	1	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.17	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
quisqualic acid Quisqualic Acid: An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis.	3.27	1	0	non-proteinogenic alpha-amino acid
triadimenol triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.	2.21	1	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
sufentanil Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.. sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.	3.27	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
enkephalin, methionine Enkephalin, Methionine: One of the endogenous pentapeptides with morphine-like activity. It differs from LEU-ENKEPHALIN by the amino acid METHIONINE in position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.	2.11	1	0
amonafide xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor	2.21	1	0	isoquinolines
flupirtine flupirtine: RN given refers to parent cpd without isomeric designation	3.78	2	0	aminopyridine
chaetochromin chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A	2.21	1	0
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.21	1	0	aromatic ketone
quinpirole Quinpirole: A dopamine D2/D3 receptor agonist.. quinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist.	7.04	1	0	pyrazoloquinoline	dopamine agonist
spiradoline spiradoline: RN given refers to (5alpha,7alpha,8beta)-(+-)-isomer; structure given in first source	7.45	2	0
enadoline enadoline: kappa-opioid receptor agonist; RN given refers to cpd without isomeric designation; PD 129290 (CAM 570; CI 977) is the S,S(-)-enantiomer; PD 129289 (CAM 569) is the corresponding R,R(+)-enantiomer	2.02	1	0
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	3.69	2	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil Remifentanil: A piperidine-propionate derivative and opioid analgesic structurally related to FENTANYL. It functions as a short-acting MU OPIOID RECEPTOR agonist, and is used as an analgesic during induction or maintenance of general anesthesia, following surgery, during childbirth, and in mechanically ventilated patients under intensive care.. remifentanil : A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.	2.46	2	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
2,5-dimethoxy-4-bromoamphetamine 2,5-dimethoxy-4-bromoamphetamine: RN given refers to (alpha)-isomer; a serotonin agonist that interferes with Meth A tumor growth in mice by selective vasoconstrictive action	3.12	1	0
cathinone cathinone: alkaloid from khat shrub, Catha edulis; RN given refers to parent cpd without isomeric designation. cathinone : The S stereoisomer of 2-aminopropiophenone.	3.21	1	0	2-aminopropiophenone; monoamine alkaloid	central nervous system stimulant; psychotropic drug
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	2.13	1	0	D-glucopyranose	epitope; mouse metabolite
ursolic acid [no description available]	3.19	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
salvin salvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae)	8.37	1	1	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.21	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
indocate [no description available]	3.78	2	0
N(4)-acetylsulfathiazole N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.	2.21	1	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.05	1	0	1,2,3-triazole
2,3-trimethylene-4-quinazolone 2,3-trimethylene-4-quinazolone: structure in first source	2.21	1	0	quinazolines
1,3-dimethyluric acid 1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.	2.21	1	0	oxopurine	metabolite
danofloxacin [no description available]	2.21	1	0	quinolines
nitrefazole [no description available]	2.21	1	0	imidazoles
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	3.78	2	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
honokiol [no description available]	3.78	2	0	biphenyls
9-methoxyellipticine 9-methoxyellipticine: RN given refers to parent cpd	2.21	1	0
3-aminophenoxazone 3-aminophenoxazone: also inhibits sulfatase; structure	2.21	1	0	phenoxazine
3-deazaneplanocin 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist	2.21	1	0
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.21	1	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
1-benzylpiperazine 1-benzylpiperazine: possesses psychomotor stimulant activity similar to dextroamphetamine; RN given refers to parent cpd; structure. 1-benzylpiperazine : A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug.	3.12	1	0	N-alkylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
2-chlorodiazepam [no description available]	2.21	1	0
Polycartine B [no description available]	2.21	1	0	phenazines
aminoquinuride dihydrochloride [no description available]	2.21	1	0
salsolinol salsolinol: RN given refers to cpd without isomeric designation; EP to SALSOLINE ALKALOIDS (78-82); on-line search SALSOLINE ALKALOIDS (78-82); Index Medicus search ISOQUINOLINES (78-82). (S)-salsolinol : A 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration.	3.19	1	0	1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol	human urinary metabolite
thioproperazine mesylate [no description available]	3.78	2	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.21	1	0	6-isopentenylaminopurine	cytokinin
phenylisopropyladenosine [no description available]	3.27	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.21	1	0	sulfonamide
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.21	1	0
p-methoxy-n-methylphenethylamine p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group.	2.11	1	0	aromatic ether; secondary amino compound	metabolite
enkephalin, d-penicillamine (2,5)- Enkephalin, D-Penicillamine (2,5)-: A disulfide opioid pentapeptide that selectively binds to the DELTA OPIOID RECEPTOR. It possesses antinociceptive activity.. DPDPE : A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.	2.04	1	0	heterodetic cyclic peptide	delta-opioid receptor agonist
sr141716 [no description available]	4.96	6	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.	3.27	1	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
cp-55,940 [no description available]	3.27	1	0
way 100635 [no description available]	2.1	1	0
u 69593 U 69593: selective ligand for opioid K-receptor. U69593 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.	5.41	18	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.	2.21	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tesmilifene [no description available]	3.78	2	0	diarylmethane
zacopride [no description available]	2.1	1	0	benzamides
tifluadom tifluadom: acts on opiate receptors; structure given in first source	2.05	1	0	benzodiazepine
sr 27897 SR 27897: structure given in first source; a CCK(A) receptor antagonist	2.21	1	0	indolyl carboxylic acid
tyrosyl-arginyl-phenylalanyl-lysinamide tyrosyl-arginyl-phenylalanyl-lysinamide: dermorphin analog	2.41	1	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	2.21	1	0	leucine derivative
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist. 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.	3.27	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
norketamine norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation	3.78	2	0	organochlorine compound
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source	2.49	2	0	diarylmethane
2',6'-dimethyltyrosine 2',6'-dimethyltyrosine: structure given in first source	2.41	1	0
dermorphin, arg(2)- dermorphin, Arg(2)-: RN given refers to (L)-isomer	2.41	1	0
indatraline indatraline: RN given for (trans)-isomer; structure in first source	2.21	1	0	indanes
methotrexate [no description available]	2.21	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide 4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol	2.21	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.21	1	0	phenylindole
sk&f 83959 SK&F 83959: induces grooming & vacuous chewing; agonist of dopamine D1-like receptors that inhibits dopamine sensitive adenylyl cyclase. N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.	3.27	1	0	benzazepine; catechols; organochlorine compound; tertiary amino compound	dopamine agonist
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	3.78	2	0	piperidines
ethylketocyclazocine Ethylketocyclazocine: A kappa opioid receptor agonist. The compound has analgesic action and shows positive inotropic effects on the electrically stimulated left atrium. It also affects various types of behavior in mammals such as locomotion, rearing, and grooming.	2.04	1	0
xylose xylopyranose: structure in first source	2.03	1	0	D-xylose
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer [no description available]	2.11	1	0
dithiane dithiane: structure in first source	2.13	1	0	dithiane
tariquidar [no description available]	2.07	1	0	benzamides
dx 8951 [no description available]	2.21	1	0	pyranoindolizinoquinoline
hyoscyamine Hyoscyamine: The 3(S)-endo isomer of atropine.. (S)-atropine : An atropine with a 2S-configuration.	2.1	1	0	tropane alkaloid
tipifarnib [no description available]	2.21	1	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.21	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe [no description available]	2.21	1	0	monoterpenoid
sk&f 75670 [no description available]	3.27	1	0
l 163191 [no description available]	3.78	2	0
dizocilpine [no description available]	3.78	2	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
s-benzylcysteine [no description available]	2.21	1	0	S-aryl-L-cysteine zwitterion
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.21	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
lapatinib [no description available]	3.78	2	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
roxindole [no description available]	2.21	1	0	indoles	alpha-adrenergic antagonist; serotonergic drug
conidendrin [no description available]	2.21	1	0
Porfiromycine [no description available]	2.21	1	0	mitomycin
nsc 95397 [no description available]	2.21	1	0	1,4-naphthoquinones
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.21	1	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.21	1	0
ibogaine Ibogaine: One of several indole alkaloids extracted from Tabernanthe iboga, Baill. It has a complex pharmacological profile, and interacts with multiple systems of neurotransmission. Ibogaine has psychoactive properties and appears to modulate tolerance to opiates.. ibogaine : An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.	8.21	1	0
niguldipine hydrochloride [no description available]	2.21	1	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available]	2.21	1	0	thiophenes
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	3.78	2	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.21	1	0	cyclohexenones
Destruxin B [no description available]	3.78	2	0	cyclodepsipeptide
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.13	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.21	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
norpseudoephedrine norpseudoephedrine: major metabolite of diethylpropion in man under acidic urine conditions; RN given refers to cpd without isomeric designation;. cathine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer).	3.12	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
columbin columbin: from Tinospora Cordifolia Miers & Calumbae Radix (the root of Jateorhiza columba MIERS, Menispermacea) ; structure given in first source	2.15	1	0	organic heterotricyclic compound; organooxygen compound
1-deoxy-d-xylulose 5-phosphate deoxyxylulose phosphate: structure in first source. 1-deoxy-D-xylulose 5-phosphate : The 5-phospho derivative of 1-deoxy-D-xylulose.	2.03	1	0	xylulose phosphate	Escherichia coli metabolite
diprenorphine Diprenorphine: A narcotic antagonist similar in action to NALOXONE. It is used to remobilize animals after ETORPHINE neuroleptanalgesia and is considered a specific antagonist to etorphine.	2.99	4	0	morphinane alkaloid
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.21	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	2.13	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	3.96	12	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
sitafloxacin [no description available]	2.21	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.21	1	0
jp-1302 [no description available]	3.78	2	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one [no description available]	3.78	2	0	benzodiazepine
tenatoprazole Tenatoprazole: structure in first source	3.78	2	0	imidazopyridine
buprenorphine Buprenorphine: A derivative of the opioid alkaloid THEBAINE that is a more potent and longer lasting analgesic than MORPHINE. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use.. buprenorphine : A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain.	2.6	1	0	morphinane alkaloid	delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	2.15	1	0	diphosphate ion
etorphine [no description available]	2.11	1	0	alcohol; morphinane alkaloid	opioid analgesic; opioid receptor agonist; sedative
s 1033 [no description available]	2.21	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol [no description available]	2.21	1	0	hydroxyquinoline
benidipine benidipine: RN refers to (R,R)-(+-)-isomer	3.78	2	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one [no description available]	2.21	1	0	quinazolines
chlorprothixene (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration.	3.78	2	0	chlorprothixene
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	3.78	2	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester [no description available]	2.21	1	0	methoxybenzenes; substituted aniline
3-hydroxypyridine, sodium salt [no description available]	2.21	1	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available]	2.21	1	0	naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol [no description available]	2.21	1	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide 3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source	2.21	1	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline [no description available]	2.21	1	0	aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide [no description available]	2.21	1	0	piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol [no description available]	2.21	1	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide [no description available]	2.21	1	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide [no description available]	2.21	1	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone [no description available]	2.21	1	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide [no description available]	2.21	1	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide [no description available]	2.21	1	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione [no description available]	2.21	1	0	maleimides
Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.	3.78	2	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one [no description available]	2.21	1	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide [no description available]	2.21	1	0	quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available]	2.21	1	0	pyrroles
bi-78d3 [no description available]	2.21	1	0	aryl sulfide
kartogenin kartogenin: promotes chondrocyte differentiation; structure in first source	2.21	1	0
toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.	2.21	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.11	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
mitragynine [no description available]	10.92	4	0	monoterpenoid indole alkaloid
u-50488 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21). U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine	4.3	18	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
paynantheine paynantheine: structure in first source	2.41	1	0
vx-745 [no description available]	3.78	2	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.21	1	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
zd 6474 CH 331: structure in first source	3.78	2	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide [no description available]	2.21	1	0	indoles
nih-12848 NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source	2.21	1	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide [no description available]	2.21	1	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone [no description available]	2.21	1	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile [no description available]	2.21	1	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [no description available]	2.21	1	0	aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.21	1	0	oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester [no description available]	2.21	1	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide [no description available]	2.21	1	0	quinolines
LSM-1924 [no description available]	2.21	1	0	organic heterotricyclic compound; organooxygen compound
ferrostatin-1 ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals.	2.21	1	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
jhw 015 [no description available]	3.27	1	0	indolecarboxamide
am 630 iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first source	3.27	1	0	N-acylindole
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine [no description available]	2.21	1	0	C-nitro compound
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol: (-)-CP-55,940 and (+)-CP-56,667 are enantiomers; RN refers to CP-55,940	2.05	1	0	alkylbenzene; ring assembly
rabeprazole(1-) [no description available]	2.21	1	0	organic nitrogen anion
jnj 7777120 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine: an H4 receptor antagonist; structure in first source	3.27	1	0
ncgc00099374 [no description available]	2.21	1	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide [no description available]	2.21	1	0	benzamides
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	2.11	1	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
acacetin 5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.	3.19	1	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
luteolin [no description available]	2.21	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.13	1	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
cyclosporine [no description available]	2.21	1	0
kaempferol [no description available]	2.21	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein [no description available]	2.21	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.	2.21	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin [no description available]	2.21	1	0	triterpenoid
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.21	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein [no description available]	2.21	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
neticonazole neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.	2.21	1	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid.	3.78	2	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.21	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
nalmefene nalmefene: RN given refers to 5-alpha isomer	2.44	2	0	morphinane alkaloid
naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	2.81	3	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.	2.66	2	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
alpha-zearalenol [no description available]	3.78	2	0	macrolide
geldanamycin [no description available]	2.1	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
lobeline Lobeline: An alkaloid that has actions similar to NICOTINE on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation.	2.03	1	0
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	3.95	12	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
su 9516 [no description available]	2.21	1	0
xylulose [no description available]	7.03	1	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.21	1	0	triazolopyrimidines
beta-funaltrexamine beta-funaltrexamine: RN given refers to parent cpd(E)-isomer; structure given in first source	2.1	1	0	morphinane alkaloid
endomorphin 1 endomorphin 1: isolated from bovine brain	2.41	1	0	oligopeptide
endomorphin 2 endomorphin 2: isolated from bovine brain	2.41	1	0
sb 277011 SB 277011: structure in first source	3.78	2	0
j 113397 J 113397: an opioid receptor-like 1 (ORL1), orphanin FQ, and nociceptin receptor antagonist; structure in first source	3.27	1	0
nalbuphine Nalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.	2.07	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source	2.21	1	0
sr 59230a [no description available]	2.21	1	0	tetralins
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone WIN 55212-2 : A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group.	3.27	1	0	morpholines; naphthyl ketone; organic heterotricyclic compound; synthetic cannabinoid	analgesic; apoptosis inhibitor; neuroprotective agent
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available]	2.21	1	0	pyrimidines
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	2.21	1	0	piperazines
MeJA [no description available]	2.21	1	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source	2.21	1	0
pd 161570 PD 161570: structure in first source	2.21	1	0
su 11248 [no description available]	3.51	1	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib [no description available]	2.21	1	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621 [no description available]	2.21	1	0	sulfonamide
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	6.85	19	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	2.13	1	0	chalcogen; nonmetal atom	macronutrient
virginiamycin factor s1 virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others.	2.21	1	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
sinomenine sinomenine: isolated from root of Sinomenium acutum; antirheumatic, antineuralgic	7.25	1	0	morphinane alkaloid
enkephalin, ala(2)-mephe(4)-gly(5)- [no description available]	3.47	7	0	peptide
norbinaltorphimine norbinaltorphimine: kappa opiate receptor antagonist; structure given in first source	3.93	12	0	isoquinolines
binaltorphimine binaltorphimine: kappa opiate receptor antagonist; structure given in first source	2.06	1	0
dermorphin dermorphin: opiate-like peptide present in amphibian skin	2.41	1	0	oligopeptide
enkephalin, ala(2)-mephe(4)-gly(5)- Enkephalin, Ala(2)-MePhe(4)-Gly(5)-: An enkephalin analog that selectively binds to the MU OPIOID RECEPTOR. It is used as a model for drug permeability experiments.	2.75	3	0
naltrindole naltrindole: delta opioid receptor antagonist	3.3	6	0	isoquinolines
fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.	2.21	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	3.78	2	0
6alpha-iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan 6-iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5-epoxymorphinan: RN and structure given in first source; RN given refers to epiioxy epimer, 6 alpha, 5 alpha; 6 beta, 5 alpha is ioxy epimer	2.03	1	0
gw-5074 [no description available]	2.21	1	0
trk 820 TRK 820: structure in first source	4.44	6	0	phenanthrenes
belotecan belotecan: structure in first source	2.21	1	0	pyranoindolizinoquinoline
norgestimate [no description available]	2.21	1	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.21	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine [no description available]	3.78	2	0
methiazole methiazole: a parasitostatic agent	3.78	2	0	benzimidazoles; carbamate ester
sb 218795 SB 218795: structure in first source	2.21	1	0	quinolines
bvt.948 [no description available]	2.21	1	0
sk&f-38393 (R)-SKF 38393 : A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the R-enantiomer of SKF 38393.	2.1	1	0	1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
morphinans Morphinans: Compounds based on a partially saturated iminoethanophenanthrene, which can be described as ethylimino-bridged benzo-decahydronaphthalenes. They include some of the OPIOIDS found in PAPAVER that are used as ANALGESICS.	3.34	6	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
fk 866 N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source	2.21	1	0	benzamides; N-acylpiperidine
enkephalin, leucine-2-alanine Enkephalin, Leucine-2-Alanine: A delta-selective opioid (ANALGESICS, OPIOID). It can cause transient depression of mean arterial blood pressure and heart rate.	2.5	2	0
a 38503 [no description available]	3.78	2	0
parthenolide [no description available]	2.21	1	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633 N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source	2.21	1	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid [no description available]	2.21	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.	2.21	1	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.	3.78	2	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source	2.21	1	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	2.21	1	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
valnemulin [no description available]	2.21	1	0
nu 7026 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source	2.21	1	0	organic heterotricyclic compound; organooxygen compound
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.07	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source	2.21	1	0	aromatic amide
ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.	2.21	1	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
l 692585 [no description available]	3.78	2	0	peptide
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	2.21	1	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
nnc 26-9100 NNC 26-9100: structure in first source	2.21	1	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine [no description available]	3.78	2	0
tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source	2.21	1	0	aromatic ether
6'-guanidinonaltrindole 6'-guanidinonaltrindole: a tissue-selective analgesic; structure in first source	3.27	1	0
hki 272 [no description available]	2.21	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available]	2.21	1	0
tae226 TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source	3.78	2	0	morpholines
gw0742 GW 610742: structure in first source	2.21	1	0	monocarboxylic acid
u 18666a 3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor.	2.21	1	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piperazine dihydrochloride SA 4503: a sigma(1) receptor agonist; structure in first source	2.03	1	0
sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor	2.21	1	0	quinoxaline derivative
deltorphin i, ala(2)- deltorphin I, Ala(2)-: isolated from skin extracts of frogs belonging to the genus Phyllomedusa; has affinity to opioid receptors	2.04	1	0	peptide
bx795 BX795: structure in first source	3.78	2	0	ureas
azd 6244 AZD 6244: a MEK inhibitor	3.78	2	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source	2.21	1	0
bay 61-3606 [no description available]	2.21	1	0	pyrimidines
sd-208 [no description available]	2.21	1	0
crenolanib [no description available]	2.21	1	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466 CJ 033466: structure in first source	2.21	1	0
cc 401 CC 401: an anthrapyrazolone	2.21	1	0	pyrazoles; ring assembly
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	3.78	2	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine.	2.21	1	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.05	1	0
cariprazine cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.	3.78	2	0
krp-203 [no description available]	2.21	1	0
regorafenib [no description available]	2.21	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867 [no description available]	3.78	2	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available]	2.21	1	0	pyrroloquinoline
ptc 124 [no description available]	3.78	2	0	oxadiazole; ring assembly
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.21	1	0
mesyl salvinorin b mesyl salvinorin B: a kappa-opioid receptor agonist; structure in first source	2.74	3	0
6,7-dichloro 3-(4-methylpiperazin-1-yl)quinoxalin-2(1h)-one 6,7-dichloro 3-(4-methylpiperazin-1-yl)quinoxalin-2(1H)-one: an NSAID; structure in first source	3.27	1	0
bi 2536 [no description available]	2.21	1	0
9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho(2,1-c)pyran-7-carboxylic acid methyl ester 9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho(2,1-c)pyran-7-carboxylic acid methyl ester: structure in first source	4.95	11	0
salvinorin b salvinorin B: from the herb, Salvia divinorum; structure in first source	4.25	17	0	diterpene lactone
azd 1152 AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.	3.78	2	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
carfilzomib [no description available]	2.21	1	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	2.21	1	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib [no description available]	2.21	1	0	pyridinecarboxamide
pf-562,271 [no description available]	2.21	1	0	indoles
gliocladin c gliocladin C: structure in first source	3.78	2	0
sb 706504 [no description available]	2.21	1	0
ku-0060648 [no description available]	2.21	1	0	dibenzothiophenes
bgt226 BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.	3.78	2	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethyldanofloxacin N-desmethyldanofloxacin: structure given in first source	2.21	1	0
mitragynine, (3beta,16e,20beta)-isomer [no description available]	2.41	1	0
mitragynine speciogynine: structure in first source	2.41	1	0
azd 1152-hqpa AZD2811: has antineoplastic activity; structure in first source	2.21	1	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
CDN1163 CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA).	2.21	1	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
gsk 269962a [no description available]	2.21	1	0
dynorphins Dynorphins: A class of opioid peptides including dynorphin A, dynorphin B, and smaller fragments of these peptides. Dynorphins prefer kappa-opioid receptors (RECEPTORS, OPIOID, KAPPA) and have been shown to play a role as central nervous system transmitters.	3.23	1	0
dynorphin (1-17) [no description available]	2.1	1	0
glucagon-like peptide 1 Glucagon-Like Peptide 1: A peptide of 36 or 37 amino acids that is derived from PROGLUCAGON and mainly produced by the INTESTINAL L CELLS. GLP-1(1-37 or 1-36) is further N-terminally truncated resulting in GLP-1(7-37) or GLP-1-(7-36) which can be amidated. These GLP-1 peptides are known to enhance glucose-dependent INSULIN release, suppress GLUCAGON release and gastric emptying, lower BLOOD GLUCOSE, and reduce food intake.	3.27	1	0
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	3.68	2	0
pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor	2.21	1	0
nvp-bhg712 [no description available]	2.21	1	0	benzamides
pf 04217903 [no description available]	2.21	1	0	quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one [no description available]	2.21	1	0	aromatic ketone
ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.	3.78	2	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sodium oxybate Sodium Oxybate: The sodium salt of 4-hydroxybutyric acid. It is used for both induction and maintenance of ANESTHESIA.	3.12	1	0
srt1720 [no description available]	3.78	2	0
purfalcamine purfalcamine: a PfCDPK-1 inhibitor; structure in first source	2.21	1	0
bms 754807 BMS 754807: an IGR-1R kinase inhibitor; structure in first source	2.21	1	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib [no description available]	2.21	1	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
salvinorin b ethoxymethyl ether salvinorin B ethoxymethyl ether: structure in first source	2.74	3	0
quizartinib [no description available]	2.21	1	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121 [no description available]	2.21	1	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
navitoclax [no description available]	2.21	1	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
gsk 650394 [no description available]	3.78	2	0	phenylpyridine
quetiapine fumarate Quetiapine Fumarate: A dibenzothiazepine and ANTIPSYCHOTIC AGENT that targets the SEROTONIN 5-HT2 RECEPTOR; HISTAMINE H1 RECEPTOR, adrenergic alpha1 and alpha2 receptors, as well as the DOPAMINE D1 RECEPTOR and DOPAMINE D2 RECEPTOR. It is used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER and DEPRESSIVE DISORDER.	3.12	1	0	fumarate salt
dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent	2.21	1	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
dynorphins dynorphin (1-13): potent opioid peptide; see also record for dynorphin & D-Ala(2)-dynorphin (1-11)	2.08	1	0
cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.	2.21	1	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
TAK-580 MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.	2.21	1	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one [no description available]	2.21	1	0	chromones
pf 3758309 PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source	2.21	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source	2.21	1	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	3.78	2	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.21	1	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.21	1	0	aryl sulfide; thienopyrimidine
baricitinib [no description available]	2.21	1	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.21	1	0	quinazolines
piperidines Piperidines: A family of hexahydropyridines.	3.44	7	0
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	2.21	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide [no description available]	2.21	1	0	hydroxyquinoline
p505-15 [no description available]	2.21	1	0
mrt67307 MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source	3.78	2	0	aromatic amine
cj 15,208 [no description available]	2.41	1	0
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine [no description available]	3.27	1	0	triazoles
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide [no description available]	2.21	1	0	piperazines
ur-144 (1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone: structure in first source	3.27	1	0
ribociclib ribociclib: inhibits both CDK4 and CDK6	2.21	1	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone [no description available]	2.21	1	0	aromatic ketone; thienopyrimidine
pha 793887 [no description available]	2.21	1	0	piperidinecarboxamide
gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source	3.78	2	0	indazoles
ml228 probe ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.	2.21	1	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
pf-03882845 [no description available]	2.21	1	0
jq1 compound [no description available]	2.21	1	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
pf-04620110 PF-04620110: a DGAT1 inhibitor; structure in first source	2.21	1	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	2.21	1	0	benzodiazepine
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.21	1	0	dipeptide
torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	3.78	2	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199 venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.	2.21	1	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available]	2.21	1	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide [no description available]	2.21	1	0	(trifluoromethyl)benzenes
ncgc00242364 NCGC00242364: structure in first source	2.21	1	0	quinazolines
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	2.21	1	0	imidazoquinoline
hs-173 [no description available]	3.78	2	0
sr1664 [no description available]	2.21	1	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source	2.21	1	0
cudc-907 [no description available]	2.21	1	0
methacycline Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6.	2.21	1	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid [no description available]	2.21	1	0	quinolines
agi-5198 AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source	2.21	1	0
cep-32496 agerafenib: inhibitor of RAF family kinases; structure in first source	3.78	2	0
epz004777 [no description available]	2.21	1	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid [no description available]	2.21	1	0	organonitrogen heterocyclic compound
entecavir [no description available]	2.21	1	0	benzamides; N-acylpiperidine
gkt137831 setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative	2.21	1	0
vx-509 [no description available]	2.21	1	0
vx-970 berzosertib: an ATR kinase inhibitor	2.21	1	0	sulfonamide
gs-9973 [no description available]	3.78	2	0
amg 925 AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML).	2.21	1	0
gne-618 GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source	3.78	2	0
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.21	1	0
volitinib [no description available]	2.21	1	0
ML355 ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.	3.78	2	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196 acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.	2.21	1	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).	2.21	1	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780 AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source	2.21	1	0
khs101 KHS101: a small molecule accelerates neuronal differentiation in the adult rat	3.78	2	0
trp-lys-tyr-met-val-met Trp-Lys-Tyr-Met-Val-Met: a synthetic peptide, stimulates phosphoinositide hyrolysis in human leukocytes	3.27	1	0
cb-839 [no description available]	2.21	1	0
gsk-j4 GSK-J4: a JMJD3 inhibitor; structure in first source	2.21	1	0	organonitrogen heterocyclic compound
pf-06424439 PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source	2.21	1	0
etp-46464 ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source	2.21	1	0
22-thiocyanatosalvinorin a 22-thiocyanatosalvinorin A: structure in first source	4.13	4	0
onc201 TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source	2.21	1	0
kai407 KAI407: an antimalarial; structure in first source	2.21	1	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source	2.21	1	0
enasidenib [no description available]	2.21	1	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429 OICR-9429: antineoplastic; structure in first source	2.21	1	0
lly-507 LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.	2.21	1	0
at 9283 [no description available]	2.21	1	0
cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.	2.17	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
hypoxanthine [no description available]	2.21	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
guanosine 5'-o-(3-thiotriphosphate) Guanosine 5'-O-(3-Thiotriphosphate): Guanosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes.	3.13	5	0	nucleoside triphosphate analogue
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.54	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
1-hydroxyphenazine 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.	2.21	1	0	phenazines
ro 24-7429 Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9	2.21	1	0	benzodiazepine
nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.	2.21	1	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.21	1	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.	2.21	1	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
rvx 208 apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation	2.21	1	0
bmn 673 talazoparib: inhibits both PARP1 and PARP2; structure in first source	3.78	2	0

Condition	Relationship Strength	Studies	Trials
Alcohol Abuse [description not available]	2.05	1	0
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	2.05	1	0
Chemical Dependence [description not available]	5.63	9	0
Substance-Related Disorders Disorders related to substance use or abuse.	5.63	9	0
Ache [description not available]	5.3	11	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	10.3	11	0
Allergic Encephalomyelitis [description not available]	2.21	1	0
Innate Inflammatory Response [description not available]	3.02	4	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	3.02	4	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	7.69	2	0
Cerebral Ischemia [description not available]	3.27	5	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	3.27	5	0
Absence Seizure [description not available]	2.25	1	0
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	2.25	1	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	2.31	1	0
Acute Ischemic Stroke [description not available]	2.72	2	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	4.91	12	0
Nervous System Disorders [description not available]	3.41	2	0
Ischemic Stroke Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin.	7.72	2	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	3.41	2	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	2.31	1	0
Lung Injury, Acute [description not available]	2.31	1	0
Staphylococcal Pneumonia [description not available]	2.31	1	0
Pneumonia, Staphylococcal Pneumonia caused by infections with bacteria of the genus STAPHYLOCOCCUS, usually with STAPHYLOCOCCUS AUREUS.	2.31	1	0
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	7.31	1	0
Nerve Pain [description not available]	2.17	1	0
Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.	2.17	1	0
Angiospasm, Intracranial [description not available]	2.17	1	0
Hemorrhage, Subarachnoid [description not available]	2.59	2	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	2.59	2	0
Vasospasm, Intracranial Constriction of arteries in the SKULL due to sudden, sharp, and often persistent smooth muscle contraction in blood vessels. Intracranial vasospasm results in reduced vessel lumen caliber, restricted blood flow to the brain, and BRAIN ISCHEMIA that may lead to hypoxic-ischemic brain injury (HYPOXIA-ISCHEMIA, BRAIN).	2.17	1	0
Psychoses, Drug [description not available]	4.16	3	1
Cocaine Abuse [description not available]	9.41	4	0
Cocaine-Related Disorders Disorders related or resulting from use of cocaine.	4.41	4	0
Brain Swelling [description not available]	2.21	1	0
Acute Brain Injuries [description not available]	2.57	2	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	2.21	1	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	2.57	2	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	3.92	4	0
Cholera Infantum [description not available]	3.85	2	0
Colitis, Mucous [description not available]	2.1	1	0
Colicky Pain [description not available]	2.1	1	0
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	2.1	1	0
Abdominal Pain Sensation of discomfort, distress, or agony in the abdominal region.	7.1	1	0
Irritable Bowel Syndrome A disorder with chronic or recurrent colonic symptoms without a clearcut etiology. This condition is characterized by chronic or recurrent ABDOMINAL PAIN, bloating, MUCUS in FECES, and an erratic disturbance of DEFECATION.	7.1	1	0
Amphetamine Abuse [description not available]	3.01	1	0
Amphetamine-Related Disorders Disorders related or resulting from use of amphetamines.	3.01	1	0
Itching [description not available]	2.11	1	0
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	2.11	1	0
Hallucination of Body Sensation [description not available]	3.44	2	0
Hallucinations Subjectively experienced sensations in the absence of an appropriate stimulus, but which are regarded by the individual as real. They may be of organic origin or associated with MENTAL DISORDERS.	3.44	2	0
Allodynia [description not available]	7.49	2	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	3.04	1	0
Dissociation [description not available]	4.81	2	1
Hemisensory Neglect [description not available]	3.04	1	0
Perceptual Disorders Cognitive disorders characterized by an impaired ability to perceive the nature of objects or concepts through use of the sense organs. These include spatial neglect syndromes, where an individual does not attend to visual, auditory, or sensory stimuli presented from one side of the body.	3.04	1	0
Anhedonia Inability to experience pleasure due to impairment or dysfunction of normal psychological and neurobiological mechanisms. It is a symptom of many PSYCHOTIC DISORDERS (e.g., DEPRESSIVE DISORDER, MAJOR; and SCHIZOPHRENIA).	8.42	2	0
Depression, Involutional Form of depression in those MIDDLE AGE with feelings of ANXIETY.	3.04	1	0
Depressive Disorder, Major Disorder in which five (or more) of the following symptoms have been present during the same 2-week period and represent a change from previous functioning; at least one of the symptoms is either (1) depressed mood or (2) loss of interest or pleasure. Symptoms include: depressed mood most of the day, nearly every daily; markedly diminished interest or pleasure in activities most of the day, nearly every day; significant weight loss when not dieting or weight gain; Insomnia or hypersomnia nearly every day; psychomotor agitation or retardation nearly every day; fatigue or loss of energy nearly every day; feelings of worthlessness or excessive or inappropriate guilt; diminished ability to think or concentrate, or indecisiveness, nearly every day; or recurrent thoughts of death, recurrent suicidal ideation without a specific plan, or a suicide attempt. (DSM-5)	3.04	1	0
Injury, Ischemia-Reperfusion [description not available]	2.53	2	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	2.53	2	0
Ileitis Inflammation of any segment of the ILEUM and the ILEOCECAL VALVE.	7.04	1	0
Hypothermia, Accidental [description not available]	2.05	1	0
Hypothermia Lower than normal body temperature, especially in warm-blooded animals.	2.05	1	0
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	2.73	3	0
Anasarca [description not available]	2.06	1	0
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	2.06	1	0
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.	7.07	1	0
Anoxia-Ischemia, Brain [description not available]	2.48	2	0
Hypercapnia A clinical manifestation of abnormal increase in the amount of carbon dioxide in arterial blood.	2.48	2	0
Blood Pressure, Low [description not available]	2.48	2	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	2.48	2	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	2.48	2	0
Ptosis, Eyelid [description not available]	2.07	1	0
Blepharoptosis Drooping of the upper lid due to deficient development or paralysis of the levator palpebrae muscle.	2.07	1	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.02	1	0
Benign Neoplasms [description not available]	2.03	1	0
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	2.03	1	0
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.	2.03	1	0
Affective Disorders [description not available]	2.04	1	0
Mood Disorders Those disorders that have a disturbance in mood as their predominant feature.	2.04	1	0

salvinorin a

Description

Cross-References

Synonyms (52)

Research Excerpts

Overview

Effects

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (2)

Protein Targets (9)

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (106)

Molecular Functions (20)

Ceullar Components (31)

Bioassays (233)

Research

Studies (240)

Market Indicators

Research Demand Index: 56.82

Study Types

Clinical Trials (4)

Trial Overview

Trial Outcomes

Changes in Brain Activity (fMRI) as Assessed by Variance in BOLD Signal

Changes in Brain Connectivity (fMRI) as Assessed by Pearson's Correlation

salvinorin a

Description

Related Flora

Cross-References

Synonyms (52)

Research Excerpts

Overview

Effects

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (2)

Protein Targets (9)

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (106)

Molecular Functions (20)

Ceullar Components (31)

Bioassays (233)

Research

Studies (240)

Market Indicators

Research Demand Index: 56.82

Study Types

Clinical Trials (4)

Trial Overview

Trial Outcomes

Changes in Brain Activity (fMRI) as Assessed by Variance in BOLD Signal

Changes in Brain Connectivity (fMRI) as Assessed by Pearson's Correlation

Related Drugs (532)

Related Conditions (81)