cordycepin profile

ID Source	ID
PubMed CID	6303
CHEMBL ID	305686
CHEBI ID	29014
SCHEMBL ID	98323
MeSH ID	M0162242

Synonym
MLS001066343
smr000058644
CHEMBL305686 ,
9-(beta-d-3'-deoxyribofuranosyl)adenine
einecs 200-791-4
9h-purine, 6-amino-9-(3-deoxy-beta-d-ribofuranosyl)-
beta-d-erythro-pentofuranoside, adenine-9 3-deoxy-
nsc 401022
ccris 3233
brn 0035194
9h-purin-6-amine, 9-(3-deoxy-beta-d-erythro-pentofuranosyl)-
PDSP2_001017
cordycepine
9-cordyceposidoadenine
nsc-63984
2'-hydroxy-3'-deoxyadenosine erythro
(2r,3r,5s)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
adenosine, 3'-deoxy-
2'-oh-3'-da erythro
nsc-401022
3AD ,
cordycepin ,
3'-deoxyadenosine
C08431
73-03-0
cordycepin, from cordyceps militaris
PDSP1_001033
CHEBI:29014 ,
3''-deoxyadenosine
9-(beta-d-3''-deoxyribofuranosyl)adenine
bdbm50144950
(2r,3r,5s)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
A837698
4-26-00-03594 (beilstein handbook reference)
unii-gz8vf4m2j8
gz8vf4m2j8 ,
(2r,3r,5s)-2-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
HMS2234E22
S3610
AKOS015902254
AKOS015854875
9-(3-deoxy-.beta.-d-ribofuranosyl)adenine
cordycepin [who-dd]
cordycepin [inci]
cordycepin [mi]
(2r,3r,5s)-2-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
gtpl4630
3'-deoxy-adenosine
SCHEMBL98323
MLS006012047
AM85418
TCMDC-143080
9-(3-deoxy-b-d-erythro-pentofuranosyl)-9h-purin-6-amine
AC-22613
DTXSID1041007
CS-W009017
cordycepin, >=98.0% (hplc)
NCGC00092360-03
DB12156
HY-N0262
HMS3677C16
cordycepin,(s)
Q2256677
adenine cordyceposide
9-cordyceposidoadenosine
AS-11189
HMS3413C16
CCG-266973
STARBLD0009677
EN300-7373269
Z3041517973

Research Excerpts

Overview

Excerpt	Reference
"Cordycepin is a purine nucleoside anti-metabolite and anti-biotic isolated from the fungus Cordyceps militaris, which has potential anti-neoplastic activities. "	( Li, K; Liu, Y; Zhang, Z; Zheng, Z, 2022)
"Cordycepin is a natural active substance with significant anticancer activity and doxorubicin is a broad-spectrum anticancer drug."	( Chen, J; Liang, RS; Liu, S; Wang, CH; Zhang, Q; Zhuang, BB; Zhuang, YD, 2022)
"Cordycepin is an adenosine derivative and is isolated from the culture filtrate of Cordyceps militaris."	( Gu, XD; Jia, FC; Li, L; Liu, Y; Liu, Z; Luo, Z; Wang, W; Xue, B; Zhang, JC, 2022)
"Cordycepin is an essential nucleoside antibiotic with a broad spectrum of physiological functions, which is currently produced by the fermentation of Cordyceps militaris. "	( Deng, G; Jiang, J; Leng, G; Liu, Z; Wen, J, 2022)
"Cordycepin is a nucleoside antibiotic with various biological activities, which has wide applications in the area of cosmetic and medicine industries. "	( Duan, XY; Ji, XJ; Lin, WB; Liu, HH; Lu, XY; Song, LP; Song, ZQ; Tian, Y; Wang, C; Yang, H, 2022)
"Cordycepin is an important quality control marker in Cordyceps militaris. "	( Han, C; Qi, D; Sun, M; Wang, X; Yu, J, 2023)
"Cordycepin (CCS) is a novel neuroprotective compound obtained from Cordyceps militaris."	( Du, K; Fu, J; Jiao, L; Liu, J; Liu, M; Ma, G; Shen, J; Tong, J; Wei, M; Wu, Y; Xing, L; Yao, W; Yu, Z; Zhong, X, 2023)
"Cordycepin is a bioactive compound extracted from Cordyceps militaris. "	( Chen, L; Chen, M; Han, C; Jiang, W; Luo, J; Miao, L, 2023)
"Cordycepin is an active anti-cancer component extracted from"	( Chen, TY; Chien, HH; Huang, BM; Sheu, SY; So, EC; Tsai, SW; Wang, CY, 2020)
"Cordycepin is an adenosine derivative isolated from "	( Chen, CH; Chen, RJ; Chen, YC; Chen, YY; Huang, BM; Lin, WC; Tung, CW; Yang, SH, 2021)
"Cordycepin is a promising drug candidate in multiple therapeutic areas, and there is a growing interest in studies aimed at assessing the pharmacological activity of this compound in relevant animal disease models."	( Adrower, C; de Moor, CH; Fischer, PM; Gershkovich, P; Lee, JB; Qin, C, 2017)
"Cordycepin is an endogenous nucleoside with significant anticancer biological activity. "	( Bi, YE; Lee, RJ; Li, L; Teng, L; Wang, M; Xie, J; Zhou, Y, 2017)
"Cordycepin is an active component extracted from Traditional Chinese medical herb Cordyceps militaris. "	( Wen, J; Yang, C; Yuan, W; Zhao, L, 2017)
"Cordycepin is a derivative of the nucleoside adenosine; also, it is speculated to exert neuroprotective effects against Aβ-induced oxidative toxicity in hippocampal neurons."	( Gong, Y; Huang, LP; Li, Y; Liu, C; Liu, XP; Meng, W; Song, H; Wang, S; Wei, S; Yao, LH, 2018)
"Cordycepin is a small molecule from medicinal mushroom Cordyceps, which has been reported for anticancer properties."	( Halim, MA; Khan, MA; Khorram, MS; Kiefer, R; Saif, K; Shawon, J; Tania, M, 2019)
"Cordycepin is a nucleotide analogue from Cordyceps mushrooms, which occupies a notable place in traditional medicine."	( Khan, MA; Tania, M, 2020)
"Cordycepin is a 3'-deoxyadenosine drug with significant anti-cancer effects."	( An, RB; Chen, LY; Li, ZH; Lin, ZH; Liu, TS; Lv, Y; Piao, YS; Ren, XS; Wang, Y; Yan, WD, 2019)
"Cordycepin is an efficient component of Cordyceps spp, a traditional Chinese medicine widely used for healthcare in China, and has been recently acted as a strong anticancer agent for clinic. "	( He, ZG; Huang, F; Li, W; Qin, H; Xu, H, 2019)
"Cordycepin is an active small molecular weight compound and is implicated in modulating multiple physiological functions including immune activation, anti-aging and anti-tumor effects."	( Ko, BS; Liang, SM; Liou, JY; Liu, CC; Liu, TA; Lu, YJ; Shen, TL; Tzean, SS; Yao, WL, 2014)
"Cordycepin is a type of adenosine analog extracted from Cordyceps militaris."	( Guan, S; Huang, G; Lu, J; Song, B; Xiong, Y; Xu, L; Zhang, S, 2013)
"Cordycepin is a bioactive component of the fungus Cordyceps militaris. "	( Guo, P; Guo, Y; He, H; Luan, H; Su, Y; Sun, G; Sun, X; Wang, X; Wu, C; Zhang, X; Zhu, H; Zhu, P, 2014)
"Cordycepin is a derivative of the nucleoside adenosine, and is believed to exert neuroprotective effects against glutamate-induced oxidative toxicity in HT22 neuronal cells."	( Jin, ML; Kim, YH; Lee, SJ; Oh, JI; Park, G; Park, SY, 2014)
"Cordycepin (Cor), which is a naturally occurring nucleoside derivative isolated from Cordyceps militaris, has been shown to exert excellent antiinflammatory activity in a murine model of acute lung injury. "	( Deng, Y; He, Y; Li, T; Li, Y; Lin, R; Wang, W; Wei, J; Yang, X; Zhang, J, 2015)
"Cordycepin is a susbtance with anti-inflammatory and anti-oxidative effects."	( He, Y; Liu, Y; Si, Z; Wang, A; Wang, D; Wang, K; Xu, S; Yuan, J; Zhang, S, 2016)
"Cordycepin is a potent inhibitor of IL-1beta-induced chemokine production and MMP expression and strongly blocks the p38/JNK/AP-1 signalling pathway in RASFs."	( Han, MK; Hur, H; Kim, JS; Kwon, KB; Lee, SJ; Lee, YR; Noh, EM; Park, BH; Shim, IK; Song, EK; Yoo, WH; Youn, HJ, 2009)
"Cordycepin is a potent inhibitor of TPA-induced MMP-9 expression and blocks strongly the ability of AP-1 activation via MAPK signaling pathway in MCF-7 cells."	( Chung, EY; Han, JH; Jeong, YJ; Jung, JY; Jung, SH; Kim, BS; Kim, JS; Lee, SH; Lee, YR; Noh, EM; Youn, HJ, 2010)
"Cordycepin is a bioactive constituent of Cordyceps sinensis that has been shown to regulate homeostatic function. "	( Lin, LC; Tsai, TH; Tsai, YJ, 2010)
"Cordycepin is a poly(A) polymerase inhibitor."	( Fedier, A; Fink, D; Hornung, R; Imesch, P, 2011)
"Cordycepin is an ingredient used in traditional Chinese medicine and is prescribed for various diseases, such as cancer and chronic inflammation."	( Cho, HJ; Cho, JY; Park, HJ; Rhee, MH, 2007)

Effects

Excerpt	Reference
"Cordycepin has a strong hypolipidemic effects, therefore, we examined its effect on lipid metabolism in CCA."	( Chen, D; Li, Y; Liu, T; Peng, B; Ren, X; Su, Z; Wang, T; Yan, W; Yang, C; Zhou, X, 2023)
"Cordycepin has a significant dose-dependent inhibitory effect on cell proliferation."	( Ao, CN; Cheong, CC; Fong, P; Huang, KM; Meng, LR; Tou, KI, 2019)
"Cordycepin has been reported to have antioxidant and neuroprotective functions."	( Hui, K; Shao, Q; Yan, Q; Zhang, H, 2022)
"Cordycepin has been reported to improve obesity, but the mechanism is not yet clear."	( Chen, J; Guo, N; Li, H; Qu, K; Wang, M; Xu, R; Zhang, P; Zhu, H, 2022)
"Cordycepin has shown the therapeutic potential for cancer by modulating multiple cellular signaling pathways."	( Bin, XN; Fan, RY; Gao, YB; He, MF; Pan, M; Qian, ST; Tang, CL; Wu, JQ; Ying, HJ; Zhang, SR, 2023)
"Cordycepin has been reported to alleviate cognitive impairments in neurodegenerative diseases."	( Han, YY; Huang, SY; Li, CH; Liu, L; Mai, ZF; Shang, YJ; Su, ZY; Zeng, ZW, 2023)
"Cordycepin has been reported to exhibit hepatic protective and anti-inflammatory properties. "	( Jia, L; Liu, Y; Sheng, M; Yu, W; Zhu, M, 2023)
"Cordycepin has a strong hypolipidemic effects, therefore, we examined its effect on lipid metabolism in CCA."	( Chen, D; Li, Y; Liu, T; Peng, B; Ren, X; Su, Z; Wang, T; Yan, W; Yang, C; Zhou, X, 2023)
"Cordycepin has immunoregulatory properties, making it a promising candidate for combination therapy with NK cell-based immunotherapy."	( Chaicharoenaudomrung, N; Kunhorm, P; Noisa, P, 2023)
"Cordycepin has recently been shown to possess anti-inflammatory effect; however, its role and the possible underlying mechanisms in ICH remain unclear."	( Cai, Y; Cheng, Y; Shang, H; Song, Y; Wei, Y; Wu, Z; Yang, W; Zhao, W, 2017)
"Cordycepin has a significant dose-dependent inhibitory effect on cell proliferation."	( Ao, CN; Cheong, CC; Fong, P; Huang, KM; Meng, LR; Tou, KI, 2019)
"Cordycepin has been widely recognized for its therapeutic potential against many types of cancers by various mechanisms. "	( Khan, MA; Tania, M, 2020)
"Cordycepin has many intracellular targets, including nucleic acid (DNA/RNA), apoptosis and cell cycle, etc."	( Kashyap, D; Sandhu, SS; Sharma, AK; Tuli, HS, 2013)
"Cordycepin has been widely used in oriental countries to maintain health and improve physical performance. "	( Li, YP; Liu, XP; Meng, W; Sun, W; Xiong, QP; Xu, YL; Yao, LH; Yu, HM; Yuan, CH, 2015)
"Cordycepin has protective effects against brain damages induced by TBI."	( He, Y; Liu, Y; Si, Z; Wang, A; Wang, D; Wang, K; Xu, S; Yuan, J; Zhang, S, 2016)
"Cordycepin has important neuroprotective effects in hypoxic or ischemic insult. "	( Chen, C; Huang, LP; Jiang, W; Li, YP; Liu, XP; Meng, W; Sun, W; Yao, LH; Yuan, CH; Zeng, B, 2017)
"Cordycepin has the effect of anti-tumor, immunomodulation, anti-inflammation and so on. "	( Chen, H; Huang, X; Li, W; Wang, T; Yuan, H; Zhao, S, 2009)
"Cordycepin has been shown to possess many pharmacological activities including immunological stimulation, and anti-bacterial, anti-viral, and anti-tumor effects."	( Choi, YH; Hong, SH; Jeong, JW; Jeong, YK; Jin, CY; Kim, GY; Lee, JD; Park, C; Yoo, YH, 2011)
"Cordycepin has been a traditional medicine in China and Korea for centuries. "	( Jin, ML; Kim, YH; Lee, SJ; Park, G; Park, SY; Son, HJ, 2012)

Actions

Excerpt	Reference
"Cordycepin is able to suppress colon cancer cell proliferation, likely mediated by the MYC/miR-26a pathway, supporting its potential for the treatment of colon cancer."	( Li, K; Liu, Y; Zhang, Z; Zheng, Z, 2022)
"Cordycepin could inhibit the activation of theTLR-4/NF-κB/MMP-9 pathway, which further attenuated cognitive dysfunction, and disruption of the blood-brain barrier (BBB) in HH and LPS exposed rats."	( Cui, L; Deng, H; Hu, Y; Jiang, J; Li, T; Liu, P; Pan, L; Tao, X; Wang, Y; Xue, X; Zhao, B; Zhao, S, 2022)
"Cordycepin showed lower cytotoxicity in vitro compared with cisplatin, anlotinib and etoposide, but showed comparable anti-proliferation and anti-BM effects in zebrafish SCLC xenograft model. "	( Bin, XN; Fan, RY; Gao, YB; He, MF; Pan, M; Qian, ST; Tang, CL; Wu, JQ; Ying, HJ; Zhang, SR, 2023)
"Cordycepin may enhance NK cell function and have clinical applications, but more research is needed."	( Chaicharoenaudomrung, N; Kunhorm, P; Noisa, P, 2023)
"Cordycepin can inhibit human tongue cancer cell growth and can drive their apoptotic death via the mitochondrial pathway. "	( Li, S; Li, W; Sun, J; Zhang, K; Zheng, Q, 2020)
"Cordycepin treatment to enhance osteogenesis may be considered a potential therapeutic approach to prevent the development of alcohol-induced ONFH."	( Chen, YX; Gao, YS; Mei, J; Xu, ZL; Yin, JH; Yu, XW; Zhang, CQ; Zhu, DY, 2017)
"Cordycepin plays an important role in modulating the function of central nervous system (CNS). "	( Cai, ZL; Huang, JN; Li, CH; Li, HH; Liu, WX; Xiao, P; Yan, WW; Yao, LH, 2013)
"Cordycepin can inhibit the proliferation of RM-1 cells with IC₅₀ of 133 µmol/L, but it has no inhibitory effect on SH-SY5Y cells."	( Jiapeng, T; Li, Z; Yiting, L, 2014)
"Cordycepin can inhibit the proliferation and induct the apoptosis of A549 cells, the mechanism of action is achieved by inhibiting the NF-κB pathway."	( Feng, T; He, XM; Hu, DX; Li, QL; Zhang, C; Zhang, XF; Zhong, Q, 2015)
"Cordycepin can inhibit SW480 and SW620 cell proliferation and induce apoptosis. "	( Fang, X; He, W; Jiang, TT; Song, Y; Ye, J; Zhang, MF, 2010)

Treatment

Excerpt	Reference
"Cordycepin treatment could ameliorate ICH-induced neurological deficits, brain edema, anxiety, cognitive impairments, oxidative stress and antioxidant capacity in ICH mice."	( Hui, K; Shao, Q; Yan, Q; Zhang, H, 2022)
"Cordycepin treatment resulted in around 50% inflammatory cytokine production (e.g."	( Feng, Y; Gao, F; Hui, W; Kong, W; Liu, H; Liu, W; Lu, J; Miranbieke, B; Wang, M, 2022)
"Cordycepin pretreatment also reduced histopathological changes, attenuated hepatocyte apoptosis, inflammatory responses in the livers of IR mice."	( Jia, L; Liu, Y; Sheng, M; Yu, W; Zhu, M, 2023)
"Cordycepin treatment significantly reduced Cd-induced embryotoxicity in zebrafish larvae."	( Almutairi, BO; Arockiaraj, J; Arokiyaraj, S; Murugan, R; Priya, PS; Shanjeev, P, 2023)
"Cordycepin treatment significantly reduced the cell survival rate of T24 cells in a concentration-dependent manner, which was associated with the induction of apoptosis."	( Cha, HJ; Choi, YH; Hong, SH; Hwang, EJ; Jeong, SJ; Jin, CY; Kim, GY; Kim, SO; Lee, H; Leem, SH; Park, C; Park, SH, 2019)
"Cordycepin treatment significantly decreased inflammation, granulation tissue and fibrous tissue formation and prevented formation of esophageal strictures shown by histopathological damage score and stenosis indexes compared to control group (p < 0.01). "	( Altinel, Y; Biltekin, B; Buğdaycı, N; Çelik, A; Ercan, G; Gulcicek, OB; Hacım, NA; Karagulle, OO; Meriç, S; Solmaz, A; Tartar, RI; Yavuz, E; Yiğitbaş, H, 2021)
"Cordycepin treatment significantly decreased DENV protein at a half-maximal effective concentration (EC50) of 26.94 μM."	( Jantakee, K; Kaewkod, T; Lee, VS; Nimmanpipug, P; Panwong, S; Panya, A; Sawasdee, N; Songprakhon, P; Tragoolpua, Y; Yenchitsomanus, PT, 2021)
"Cordycepin treatment significantly reversed cognitive decline in diabetic mice in the NOR test and ameliorated antioxidant defenses."	( Fungfuang, W; Parunyakul, K; Phaonakrop, N; Roytakul, S; Srisuksai, K, 2021)
"Cordycepin treatment significantly alleviated neurological deficits, brain edema, and perihematomal tissue damage following ICH."	( Cai, Y; Cheng, Y; Shang, H; Song, Y; Wei, Y; Wu, Z; Yang, W; Zhao, W, 2017)
"Cordycepin treatment to enhance osteogenesis may be considered a potential therapeutic approach to prevent the development of alcohol-induced ONFH."	( Chen, YX; Gao, YS; Mei, J; Xu, ZL; Yin, JH; Yu, XW; Zhang, CQ; Zhu, DY, 2017)
"Cordycepin treatment also reduced the activation of CREB."	( Cha, HJ; Choi, YH; Hong, SH; Jeong, JW; Kim, CH; Kim, GY; Kim, WJ; Park, C; Park, SH; Song, KS, 2018)
"Cordycepin treatment dramatically reversed the relative abundance of two dominant bacterial phyla (Bacteroidetes and Firmicutes) in the high-fat-diet-induced obese rats, resulting in abundance similar to that of the chow diet group."	( An, Y; Chen, Z; Li, S; Li, Y; Liu, M; Luan, W; Tang, X; Wang, C; Wang, X; Wu, L; Xu, H; Yu, L, 2018)
"Cordycepin treatment alleviated these MPTP-induced changes."	( Cheng, C; Zhu, X, 2019)
"Cordycepin treatment caused a dose-dependent increase of pro-apoptotic Bax and decrease of anti-apoptotic Bcl-2, triggering collapse of the mitochondrial membrane potential and activation of caspase-9 and -3."	( Choi, YH; Jeong, YK; Kim, GY; Kim, SO; Kim, WJ; Lee, HH; Moon, SK; Yoo, YH, 2014)
"Cordycepin treatment attenuated the TBI-induced impairments in a dose-dependent manner, and played a role in protecting BBB integrity."	( He, Y; Liu, Y; Si, Z; Wang, A; Wang, D; Wang, K; Xu, S; Yuan, J; Zhang, S, 2016)
"Cordycepin treatment, at a dose of 200 microM (IC(50)) during cell-cycle progression resulted in significant and dose-dependent growth inhibition, which was largely due to G2/M-phase arrest, and resulted in an up-regulation of p21WAF1 expression, independent of the p53 pathway."	( Choi, WS; Kim, SK; Kim, WJ; Lee, SJ; Moon, SK, 2009)
"Cordycepin treatment resulted in G2/M-phase cell-cycle arrest, which was associated with increased p21WAF1 levels and reduced amounts of cyclin B1, Cdc2, and Cdc25c in a p53-independent pathway."	( Jung, KH; Kim, WJ; Lee, SJ; Moon, GS; Moon, SK, 2010)
"Cordycepin-treated cells showed phosphatidylserine valgus, suggesting the existence of early apoptosis."	( Fang, X; He, W; Jiang, TT; Song, Y; Ye, J; Zhang, MF, 2010)
"Cordycepin treatment at 120 microM and 80 microM, respectively, induced apoptosis in both cells and caused the increase of cell accumulation in a time-dependent manner at the apoptotic sub-G1 phase, as evidenced by the flow cytometry (FCM) and annexin V-fluorescein isothiocyanate (FITC) analyses."	( Baik, JS; Cho, YS; Jeong, YK; Kim, KS; Kwon, HY; Lee, YC, 2012)
"Cordycepin-treated groups were administered daily doses of oral cordycepin at 5, 10, and 20 mg/kg body weight for 4 months."	( Hwang, SY; Kim, IW; Kim, SK; Kim, SW; Lee, SC; Sohn, SH; Ye, MB, 2012)
"Cordycepin treatment results in shorter poly(A) tails, and a reduction in the efficiency of mRNA cleavage and transcription termination is observed, indicating that the effects of cordycepin on 3' processing in cells are similar to those described in in vitro reactions."	( Barthet-Barateig, A; De Moor, CH; Khurshid, A; Knox, AJ; Kondrashov, A; Meijer, HA; Pang, L; Parker, HN; Sicard, M; Tessier, S, 2012)
"Cordycepin-treated, ADA-inhibited, TdT-positive cells undergo the classic changes associated with drug-induced apoptosis: reduction in cell volume, chromatin clumping, membrane blebbing, and 180-bp multimer DNA laddering on agarose gels."	( Koç, Y; McCaffrey, R; Sweeney, EB; Urbano, AG, 1996)
"Treatment with cordycepin or cisplatin (2 μg/mL) alone failed to induce cell death in T24R2 cells, but combination treatment with these drugs significantly induced apoptosis through mitochondrial pathways, including depolarization of mitochondrial membranes, decrease in anti-apoptotic proteins Bcl-2, Bcl-xL, and Mcl-1, and increase in pro-apoptotic proteins Bak and Bax."	( Han, HT; Hwangbo, C; Jeong, JW; Kim, KD; Kim, M; Lee, KW; Lee, Y; Madhi, H; Oh, SS; Park, S; Yoo, J, 2020)
"Co-treatment with cordycepin and cDDP inhibited cell growth, migration, and metastasis, as well as induced apoptosis."	( Chen, DL; Gao, Y; He, MF; Huang, S; Liao, XZ; Zhang, JX; Zheng, ZS; Zhou, M, 2020)
"Treatment of cordycepin controlled SiHa and HeLa cervical cancer cell growth, increased the rate of their apoptosis, and interfered with cell cycle, specifically elongated S-phase. "	( Halim, MA; Khan, MA; Khorram, MS; Kiefer, R; Saif, K; Shawon, J; Tania, M, 2019)
"Treatment with cordycepin resulted in increased apoptosis in HCT116 cells; however, flow cytometic analysis demonstrated that apoptosis was notably decreased in the Bax‑/‑ HCT116 cell lines, but not in the p53‑/‑ HCT116 cell lines."	( Du, RL; Fei, J; Li, SZ; Ren, JW; Zhang, XD, 2019)
"Treatment of cordycepin results in the increasing expression of epithelial marker, Ecadherin while no significant effect was found on N-cadherin α-catenin and β-catenin."	( Ko, BS; Liang, SM; Liou, JY; Liu, CC; Liu, TA; Lu, YJ; Shen, TL; Tzean, SS; Yao, WL, 2014)
"Treatment with cordycepin largely reduced oleic acid (OA)-elicited intracellular lipid accumulation and increased AMPK activity in a dose-dependent manner."	( Guo, P; Guo, Y; He, H; Luan, H; Su, Y; Sun, G; Sun, X; Wang, X; Wu, C; Zhang, X; Zhu, H; Zhu, P, 2014)
"Pretreatment with cordycepin significantly inhibited the production of PGE2 and NO induced by IL-1β. "	( Chen, H; Cheng, S; Peng, L; Shen, Y; Ying, X; Yu, K, 2014)
"Treatment with cordycepin increased Wnt-related genes' expression whereas supplementation of Wnt pathway inhibitor reversed its protective effects."	( Jiang, C; Liu, Y; Lu, Y; Wang, F; Yin, P; Yu, X; Zhou, Z, 2015)
"Treatment with cordycepin significantly inhibited cell growth in a concentration-dependent manner by inducing apoptosis but not necrosis."	( Choi, YH; Hong, SH; Jeong, JW; Jeong, YK; Jin, CY; Kim, GY; Lee, JD; Park, C; Yoo, YH, 2011)
"The treatment with cordycepin, when protected by an inhibitor of ADA, can prolong the survival of T."	( Costa, MM; Da Silva, AS; Duck, MR; Gressler, LT; Lopes, ST; Mazzanti, CM; Monteiro, SG; Nunes, JT; Oliveira, CB; Wolkmer, P; Zanette, RA, 2011)

Pathways (2)

cordycepin is involved in 2 pathway(s), involving a total of 32 unique proteins and 156 unique compounds

Role	Description
nucleoside antibiotic	null
antimetabolite	A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
[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
3'-deoxyribonucleoside
adenosines	Any purine ribonucleoside that is a derivative of adenosine.
[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]

Pathway	Proteins	Compounds
aspartate superpathway	25	122
NAD de novo biosynthesis I (from aspartate)	7	34

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
TDP1 protein	Homo sapiens (human)	Potency	7.7536	0.0008	11.3822	44.6684	AID686978; AID686979
PINK1	Homo sapiens (human)	Potency	44.6684	2.8184	18.8959	44.6684	AID624263
Parkin	Homo sapiens (human)	Potency	44.6684	0.8199	14.8306	44.6684	AID624263
urokinase-type plasminogen activator precursor	Mus musculus (house mouse)	Potency	4.4668	0.1585	5.2879	12.5893	AID540303
plasminogen precursor	Mus musculus (house mouse)	Potency	4.4668	0.1585	5.2879	12.5893	AID540303
urokinase plasminogen activator surface receptor precursor	Mus musculus (house mouse)	Potency	4.4668	0.1585	5.2879	12.5893	AID540303
[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)
TPA: protein transporter TIM23	Saccharomyces cerevisiae S288C	IC50 (µMol)	14.0000	0.8800	10.5036	32.9000	AID493002
Adenosine receptor A1	Rattus norvegicus (Norway rat)	Ki	9.8133	0.0001	1.2092	9.9700	AID31718; AID32352; AID32353
Sterol 14-alpha demethylase	Trypanosoma cruzi strain CL Brener	IC50 (µMol)	100.0000	0.0010	1.7070	10.0000	AID1207588
RNA-directed RNA polymerase		IC50 (µMol)	22.0000	0.0190	2.5279	8.8000	AID86858
Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)	IC50 (µMol)	100.0000	0.1259	4.2440	10.0000	AID1207588
[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)
heat shock protein 90	Candida albicans	EC50 (µMol)	150.0000	0.1200	6.4855	33.8530	AID2423
Histamine H1 receptor	Cavia porcellus (domestic guinea pig)	EC50 (µMol)	46.0000	0.0026	0.5334	1.2020	AID86857
RNA-directed RNA polymerase		EC50 (µMol)	46.0000	0.0018	0.2348	2.8000	AID86857
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
fatty acid metabolic process	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
fatty acid beta-oxidation	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
carnitine shuttle	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
carnitine metabolic process	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
response to blue light	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
long-chain fatty acid transport	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
carnitine O-palmitoyltransferase activity	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
protein binding	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
mitochondrion	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
mitochondrial outer membrane	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
mitochondrion	Carnitine O-palmitoyltransferase 1, muscle isoform	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (92)

Assay ID	Title	Year	Journal	Article
AID416870	Cmax in C57BL/6 mouse at 0.5 umol/kg, po assessed as transformed cordycepin levels	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID1255098	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated PGE2 production at 1 to 10 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot analysis	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID416868	Half life in C57BL/6 mouse at 0.5 umol/kg, po	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID1584731	Therapeutic index, ratio EC50 for human MRC5 SV2 cells to EC50 for Trypanosoma cruzi Tulahuen CL2 intracellular amastigotes	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Discovery of Novel 7-Aryl 7-Deazapurine 3'-Deoxy-ribofuranosyl Nucleosides with Potent Activity against Trypanosoma cruzi.
AID1065704	Drug metabolism assessed as recombinant human ADA-mediated 3'-deoxyinosine metabolite formation at 100 uM measured every 15 mins for 10 hrs by spectrophotometric analysis in presence of deoxycoformycin	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1065710	Displacement of [2,8-3H]-adenosine from Trypanosoma brucei AT1/P2 expressed in bloodstream stage of Trypanosoma brucei brucei B48	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID225768	Antiviral activity against polio virus type 1 in HeLa cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID229234	Antiviral activity against vesicular stomatitis virus (VSV) in HeLa cell culture lines,	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID227718	Binding energy by using the equation deltaG obsd = -RT ln KD	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Functional group contributions to drug-receptor interactions.
AID1065705	Drug metabolism assessed as recombinant human ADA-mediated 3'-deoxyinosine metabolite formation at 100 uM measured every 15 mins for 10 hrs by spectrophotometric analysis	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID416743	Cmax in C57BL/6 mouse at 0.5 umol/kg, po	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID1065713	Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei AnTat1.1E infected in C57BL6J (B6) mouse assessed as reduction of parasitemia at 2 mg/kg, ip qd administered for 3 days measured after 40 days in presence of deoxycoformycin	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID81438	Dose required to inhibit cytopathic effect of human immunodeficiency virus replication in MT-4 cells.	1988	Journal of medicinal chemistry, Oct, Volume: 31, Issue:10	Synthesis and anti-HIV activity of different sugar-modified pyrimidine and purine nucleosides.
AID1065714	Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei AnTat1.1E after 72 hrs by WST-1 assay	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID229236	Antiviral activity against vesicular stomatitis virus (VSV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1584732	Antiparasitic activity against Trypanosoma cruzi Tulahuen CL2 intracellular amastigotes expressing beta-galactosidase infected in human MRC5 SV2 cells after 7 days by chlorophenol red beta-D-galactopyranoside-based spectrophotometric analysis	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Discovery of Novel 7-Aryl 7-Deazapurine 3'-Deoxy-ribofuranosyl Nucleosides with Potent Activity against Trypanosoma cruzi.
AID31719	Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex	1997	Journal of medicinal chemistry, Nov-07, Volume: 40, Issue:23	N6-cyclopentyl-3'-substituted-xylofuranosyladenosines: a new class of non-xanthine adenosine A1 receptor antagonists.
AID1065698	Cytotoxicity against human MOLT4 cells assessed as cell viability after 72 hrs by WST-1 assay	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1065715	Trypanocidal activity against Trypanosoma brucei	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1167619	Cytotoxicity against human ORL8 cells after 72 hrs by WST-1 assay	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Synthesis of 3',4'-difluoro-3'-deoxyribonucleosides and its evaluation of the biological activities: discovery of a novel type of anti-HCV agent 3',4'-difluorocordycepin.
AID86857	Inhibition HCV RNA replication	2004	Journal of medicinal chemistry, Apr-22, Volume: 47, Issue:9	Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase.
AID333675	Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 after 24 hrs by [3H]hypoxanthine uptake	2004	Journal of natural products, Nov, Volume: 67, Issue:11	10-membered macrolides from the insect pathogenic fungus Cordyceps militaris BCC 2816.
AID416744	AUC in C57BL/6 mouse at 0.5 umol/kg, po	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID228408	Antiviral activity against reovirus type 1 in Vero cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID81069	Cytotoxic dose required to reduce the viability of normal uninfected MT-4 cells.	1988	Journal of medicinal chemistry, Oct, Volume: 31, Issue:10	Synthesis and anti-HIV activity of different sugar-modified pyrimidine and purine nucleosides.
AID226341	Antiviral activity against sindbis virus in Vero cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID751324	Inhibition of NFkappaB p65 nuclear translocation in mouse RAW264.7 cells after 24 hrs by DAPI staining-based laser confocal immunofluorescent microscopic analysis	2013	Bioorganic & medicinal chemistry, Jan-15, Volume: 21, Issue:2	Synthesis and anti-inflammatory evaluations of β-lapachone derivatives.
AID229716	GTP shift ratio of the apparent Ki values in the presence and absence of GTP.	1997	Journal of medicinal chemistry, Nov-07, Volume: 40, Issue:23	N6-cyclopentyl-3'-substituted-xylofuranosyladenosines: a new class of non-xanthine adenosine A1 receptor antagonists.
AID1065694	Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei AnTat1.1E after 72 hrs by WST-1 assay in presence of adenosine kinase inhibitor ABT702	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID229026	Antiviral activity against vaccinia virus (VV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1065706	Cytotoxicity against mouse L929 cells assessed as cell viability after 72 hrs by WST-1 assay	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1065696	Trypanocidal activity against bloodstream stage of Trypanosoma brucei after 72 hrs by WST-1 assay	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1255101	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated PGE2 production at 0.5 to 5 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot analysis	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID220033	Antiviral activity against coxsackie B4 in Vero cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1255096	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated TNF-alpha production at 0.5 to 5 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot anal	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID235875	Ratio of CD50 to ED50 rvaluated for inhibition of HIV replication in MT-4 cells	1988	Journal of medicinal chemistry, Oct, Volume: 31, Issue:10	Synthesis and anti-HIV activity of different sugar-modified pyrimidine and purine nucleosides.
AID1167620	Selectivity index, ratio of CC50 for human ORL8 cells to EC50 for Hepatitis C virus infected in African green monkey OR6 cells	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Synthesis of 3',4'-difluoro-3'-deoxyribonucleosides and its evaluation of the biological activities: discovery of a novel type of anti-HCV agent 3',4'-difluorocordycepin.
AID416871	AUC in C57BL/6 mouse at 0.5 umol/kg, po assessed as transformed cordycepin levels	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID228985	Antiviral activity against semliki forest virus (SFV) in Vero cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1065699	Drug metabolism in human MOLT4 cells assessed as ADA-mediated inosine metabolite formation	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID416872	Half life in C57BL/6 mouse at 0.5 umol/kg, po assessed as transformed cordycepin levels	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID416869	Tmax in C57BL/6 mouse at 0.5 umol/kg, po assessed as transformed cordycepin levels	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID1255092	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated TNF-alpha production at 1 to 10 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot analy	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID32353	Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand	1995	Journal of medicinal chemistry, Sep-29, Volume: 38, Issue:20	Ribose-modified adenosine analogues as potential partial agonists for the adenosine receptor.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID179545	GTP shift was determined in rat	1995	Journal of medicinal chemistry, Sep-29, Volume: 38, Issue:20	Ribose-modified adenosine analogues as potential partial agonists for the adenosine receptor.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID216185	Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition assay	1999	Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17	Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds.
AID1255097	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated TNF-alpha production at 0.5 to 5 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot anal	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID1065695	Trypanocidal activity against bloodstream stage of Trypanosoma brucei after 72 hrs by WST-1 assay in presence of deoxycoformycin	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID1255102	Inhibition of TLR4-mediated NF-kappaB signaling pathway in BALB/c mouse RAW264.7 cells assessed as suppression of LPS-stimulated PGE2 production at 0.5 to 5 ug/ml preincubated for 1 hr followed by LPS challenge measured after 6 hrs by immunoblot analysis	2015	Journal of natural products, Oct-23, Volume: 78, Issue:10	N(6)-(2-Hydroxyethyl)adenosine in the Medicinal Mushroom Cordyceps cicadae Attenuates Lipopolysaccharide-Stimulated Pro-inflammatory Responses by Suppressing TLR4-Mediated NF-κB Signaling Pathways.
AID220034	Antiviral activity against coxsackie B4 virus in HeLa cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID416742	Tmax in C57BL/6 mouse at 0.5 umol/kg, po	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain.
AID1167618	Antiviral activity against Hepatitis C virus infected in African green monkey OR6 cells after 72 hrs by luciferase reporter gene assay	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Synthesis of 3',4'-difluoro-3'-deoxyribonucleosides and its evaluation of the biological activities: discovery of a novel type of anti-HCV agent 3',4'-difluorocordycepin.
AID84402	Antiviral activity against HSV-1(KOS) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1065708	Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei AnTat1.1E infected in C57BL6J (B6) mouse assessed as reduction of parasitemia at 2 mg/kg, ip qd measured after 30 days	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID85279	Antiviral activity against HSV-2(G) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID32352	Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand	1995	Journal of medicinal chemistry, Sep-29, Volume: 38, Issue:20	Ribose-modified adenosine analogues as potential partial agonists for the adenosine receptor.
AID224916	Antiviral activity against parainfluenza virus type 3 in Vero cell culture lines	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID1584733	Cytotoxicity against human MRC5 SV2 cells assessed as reduction in cell viability after 3 days resazurin-based fluorimetric assay	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Discovery of Novel 7-Aryl 7-Deazapurine 3'-Deoxy-ribofuranosyl Nucleosides with Potent Activity against Trypanosoma cruzi.
AID86858	Inhibition HCV NS5B-mediated RNA synthesis	2004	Journal of medicinal chemistry, Apr-22, Volume: 47, Issue:9	Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase.
AID1065697	Cytotoxicity against human MOLT4 cells assessed as cell viability after 72 hrs by WST-1 assay in presence of deoxycoformycin	2013	Journal of medicinal chemistry, Dec-27, Volume: 56, Issue:24	Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis.
AID662565	Growth inhibition of Trichomonas vaginalis T1 at 100 uM after 24 hrs by hemocytometry	2012	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12	S-Adenosylhomocysteine hydrolase of the protozoan parasite Trichomonas vaginalis: potent inhibitory activity of 9-(2-deoxy-2-fluoro-β,D-arabinofuranosyl)adenine.
AID31718	Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.	1997	Journal of medicinal chemistry, Nov-07, Volume: 40, Issue:23	N6-cyclopentyl-3'-substituted-xylofuranosyladenosines: a new class of non-xanthine adenosine A1 receptor antagonists.
AID81802	Antiviral activity against (HIV-1) in MT-4 cells Value in parentheses is inhibitory concentration for cell growth (MT-4)	1992	Journal of medicinal chemistry, Nov-27, Volume: 35, Issue:24	Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1159558	TcCYP51 enzymatic inhibition	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159561	NIH-3T3 cytotoxicity	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159562	Trypanosoma brucei growth inhibition luminescent assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159557	Trypanosoma brucei. Primary growth inhibition assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159559	Trypanosoma cruzi. Primary growth inhibition assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159563	HepG2 cytotoxicity assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159564	Intra-macrophage L. donovani assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159565	Trypanosoma cruzi intracellular imaging assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159560	Leishmania donovani. Primary growth inhibition assay	2015	Scientific reports, Mar-05, Volume: 5	New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	21 (3.63)	18.7374
1990's	65 (11.23)	18.2507
2000's	89 (15.37)	29.6817
2010's	276 (47.67)	24.3611
2020's	128 (22.11)	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	1 (0.17%)	5.53%
Reviews	22 (3.72%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	569 (96.11%)	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 Phase I/II Study of Cordycepin Plus Pentostatin in Patients With Refractory TdT-Positive Leukemia[NCT00709215]	Phase 1/Phase 2	44 participants (Anticipated)	Interventional	2008-06-30	Recruiting
A Phase I Study of Cordycepin (NSC 63984) Plus 2'-Deoxycoformycin (NSC 218321) in Patients With Refractory TdT-Positive Leukemia[NCT00003005]	Phase 1	14 participants (Actual)	Interventional	1997-12-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
tubercidin	[no description available]	medium	2	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
2'-deoxyadenosine	[no description available]	medium	7	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
3-deazaadenosine	[no description available]	medium	1
ribavirin	[no description available]	medium	5	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
9-(2,3-dihydroxypropyl)adenine, (s)-isomer	[no description available]	medium	1
alovudine	[no description available]	medium	1	pyrimidine 2',3'-dideoxyribonucleoside
zidovudine	[no description available]	medium	2	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
3'-azido-2',3'-dideoxyuridine	[no description available]	medium	1
3'-azido-2',3'-dideoxy-5-methylcytidine	[no description available]	medium	1
adenosine 2',3'-ribo-epoxide	[no description available]	medium	3
3'-fluoro-2',3'-dideoxyuridine	[no description available]	medium	1
3'-azido-2',3'-dideoxyadenosine	[no description available]	medium	1
3'-azido-2',3'-dideoxycytidine	[no description available]	medium	1
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanol	[no description available]	medium	1	3'-deoxyribonucleoside; purines
deoxyguanosine	[no description available]	medium	5	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
3-phenylpropionic acid	[no description available]	medium	1	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
gamma-aminobutyric acid	[no description available]	medium	2	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetic acid	[no description available]	medium	2	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
citric acid, anhydrous	[no description available]	medium	2	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
2-aminoacetaldehyde	[no description available]	medium	1	amino aldehyde; omega-aminoaldehyde	Escherichia coli metabolite
phosphoglycolate	[no description available]	medium	1	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
hexachlorocyclohexane	[no description available]	medium	1	chlorocyclohexane
oxalic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
phenol	[no description available]	medium	3	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenethylamine	[no description available]	medium	1	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoric acid	[no description available]	medium	1	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
tryptamine	[no description available]	medium	1	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
phenytoin	[no description available]	medium	2	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
alprenolol	[no description available]	medium	1	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amitriptyline	[no description available]	medium	2	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
apraclonidine	[no description available]	medium	1	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
arecoline	[no description available]	medium	1	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
astemizole	[no description available]	medium	1	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
bromazepam	[no description available]	medium	1	organic molecular entity
carbamazepine	[no description available]	medium	2	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbinoxamine	[no description available]	medium	1	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carbofuran	[no description available]	medium	1	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
chlorpheniramine	[no description available]	medium	2	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	2	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
clonidine	[no description available]	medium	2	clonidine; imidazoline
cycloleucine	[no description available]	medium	1	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyproheptadine	[no description available]	medium	2	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
desipramine	[no description available]	medium	1	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
amphetamine	[no description available]	medium	2	primary amine
diazepam	[no description available]	medium	2	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	medium	3	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt	[no description available]	medium	2	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
valproic acid	[no description available]	medium	3	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
domperidone	[no description available]	medium	1	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxepin	[no description available]	medium	2	dibenzooxepine; tertiary amino compound	antidepressant
flurbiprofen	[no description available]	medium	2	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene	[no description available]	medium	1	diarylmethane
guanfacine	[no description available]	medium	1	acetamides
haloperidol	[no description available]	medium	2	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ibuprofen	[no description available]	medium	2	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ketanserin	[no description available]	medium	2	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
lorazepam	[no description available]	medium	1	benzodiazepine
mescaline	[no description available]	medium	1	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
methadone	[no description available]	medium	2	benzenes; diarylmethane; ketone; tertiary amino compound
metharbital	[no description available]	medium	1	organic molecular entity
mianserin	[no description available]	medium	2	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
muscimol	[no description available]	medium	1	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
naphazoline	[no description available]	medium	1	naphthalenes
nisoxetine	[no description available]	medium	1	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
nomifensine	[no description available]	medium	1	isoquinolines	dopamine uptake inhibitor
oxotremorine	[no description available]	medium	1	N-alkylpyrrolidine
oxymetazoline	[no description available]	medium	1	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
phenylbutazone	[no description available]	medium	2	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
pipamperone	[no description available]	medium	1	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
prazosin	[no description available]	medium	2	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
propranolol	[no description available]	medium	2	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline	[no description available]	medium	1	carbotricyclic compound	antidepressant
pyrilamine	[no description available]	medium	1	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
pyrimethamine	[no description available]	medium	2	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
spiperone	[no description available]	medium	1	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
thioridazine	[no description available]	medium	2	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
trimethoprim	[no description available]	medium	2	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
wb 4101	[no description available]	medium	1	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
xylazine	[no description available]	medium	1	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
corticosterone	[no description available]	medium	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
lysergic acid diethylamide	[no description available]	medium	1	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
phentolamine	[no description available]	medium	2	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
3,3',5-triiodothyroacetic acid	[no description available]	medium	2
thyroxine	[no description available]	medium	2	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbachol	[no description available]	medium	2	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
aldosterone	[no description available]	medium	1	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
pilocarpine	[no description available]	medium	2	pilocarpine	antiglaucoma drug
apomorphine	[no description available]	medium	2	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
piperoxan	[no description available]	medium	1
carbaryl	[no description available]	medium	2	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
cytidine monophosphate	[no description available]	medium	1	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
medroxyprogesterone acetate	[no description available]	medium	2	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
ethylamine	[no description available]	medium	1	primary aliphatic amine	human metabolite
tetramethylammonium	[no description available]	medium	1	quaternary ammonium ion
mephobarbital	[no description available]	medium	2	barbiturates	anticonvulsant
yohimbine	[no description available]	medium	2	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
prenylamine	[no description available]	medium	1	diarylmethane
ketobemidone	[no description available]	medium	1	piperidines
cytisine	[no description available]	medium	1	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
bufotenin	[no description available]	medium	1	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
fructose-1,6-diphosphate	[no description available]	medium	1	D-fructofuranose 1,6-bisphosphate	mouse metabolite
dihydrotestosterone	[no description available]	medium	1	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
trimellitic acid	[no description available]	medium	1	tricarboxylic acid
pimozide	[no description available]	medium	2	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
benperidol	[no description available]	medium	1	aromatic ketone
benzetimide	[no description available]	medium	1	piperidines
acetylpyruvic acid	[no description available]	medium	1	beta-diketone; dioxo monocarboxylic acid	bacterial metabolite
metoprine	[no description available]	medium	1
coformycin	[no description available]	medium	3	coformycins	EC 3.5.4.4 (adenosine deaminase) inhibitor
pizotyline	[no description available]	medium	2	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
metergoline	[no description available]	medium	1	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lofexidine	[no description available]	medium	1	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate	[no description available]	medium	1
timolol	[no description available]	medium	2	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	1	tryptamines
penfluridol	[no description available]	medium	1	diarylmethane
tiamenidine	[no description available]	medium	1	organochlorine compound
sufentanil	[no description available]	medium	1	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
carfentanil	[no description available]	medium	1	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug
fenclofenac	[no description available]	medium	1	aromatic ether
flutonidine	[no description available]	medium	1
tutin	[no description available]	medium	1	gamma-lactone
nicotine	[no description available]	medium	2	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
5,6-dihydrouridine	[no description available]	medium	1	uridines	biomarker
methotrexate	[no description available]	medium	3	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
naproxen	[no description available]	medium	2	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
camphora	[no description available]	medium	1	camphor
biotin	[no description available]	medium	2	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine	[no description available]	medium	2
ouabain	[no description available]	medium	1	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
xylose 1-phosphate	[no description available]	medium	1	xylose phosphate
picrotoxinin	[no description available]	medium	1	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid	[no description available]	medium	1	pyrimidine ribonucleoside 5'-monophosphate
etorphine	[no description available]	medium	1	alcohol; morphinane alkaloid	opioid analgesic; opioid receptor agonist; sedative
dieldrin	[no description available]	medium	1	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
benztropine	[no description available]	medium	1	diarylmethane
cinnarizine	[no description available]	medium	1	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
tamoxifen	[no description available]	medium	2	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
ketazocine	[no description available]	medium	1
dinoprostone	[no description available]	medium	5	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	2	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
alprostadil	[no description available]	medium	2	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
flupenthixol	[no description available]	medium	1	flupenthixol	dopaminergic antagonist
triprolidine	[no description available]	medium	1	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
guanabenz	[no description available]	medium	1	dichlorobenzene
2-amino-4-methoxy-3-butenoic acid	[no description available]	medium	1
24,25-dihydroxyvitamin d 3	[no description available]	medium	1
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	1	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
scopolamine hydrobromide	[no description available]	medium	1
dicumarol	[no description available]	medium	2	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
warfarin	[no description available]	medium	2	benzenes; hydroxycoumarin; methyl ketone
clozapine	[no description available]	medium	2	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
oxypurinol	[no description available]	medium	2	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
allopurinol	[no description available]	medium	3	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
9-methyladenine	[no description available]	medium	1	methyladenine	metabolite
phenylisopropyladenosine	[no description available]	medium	1	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
5'-deoxyadenosine	[no description available]	medium	1	5'-deoxyribonucleoside; adenosines	Escherichia coli metabolite; human metabolite; mouse metabolite
n(6)-cyclopentyladenosine	[no description available]	medium	1
adipic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
succinic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
thymidine	[no description available]	medium	1	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
formaldoxime	[no description available]	medium	1
tropine	[no description available]	medium	1
5-nitrobarbituric acid	[no description available]	medium	1
deoxyuridine	[no description available]	medium	2	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nebularine	[no description available]	medium	2	purine ribonucleoside; purines D-ribonucleoside	fungal metabolite
5-nitrouracil	[no description available]	medium	1	C-nitro compound
5-methylcytidine	[no description available]	medium	1	methylcytidine
4,4'-azobis(phenol)	[no description available]	medium	1
7-hydroxycoumarin	[no description available]	medium	1	hydroxycoumarin	fluorescent probe; food component; plant metabolite
nitrofurantoin	[no description available]	medium	2	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
inosine	[no description available]	medium	9	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
vidarabine	[no description available]	medium	5	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
2'-fluoro-2'-deoxyadenosine	[no description available]	medium	2
2'-o-methyladenosine	[no description available]	medium	1	adenosines; ether	fungal metabolite
3'-fluoro-3'-deoxyadenosine	[no description available]	medium	3
3'-c-methyladenosine	[no description available]	medium	1
2'-c-methyladenosine	[no description available]	medium	1
2'-o-methylguanosine	[no description available]	medium	1	methylguanosine	metabolite
2'-deoxy-2'-fluoroguanosine	[no description available]	medium	1
3-deoxyguanosine	[no description available]	medium	2	3'-deoxyribonucleoside; guanosines	EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
artenimol	[no description available]	medium	1
acetamide	[no description available]	medium	1	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	15	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	1	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
quinacrine	[no description available]	medium	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine	[no description available]	medium	1	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	amino-acid betaine	human metabolite; mouse metabolite
salicylic acid	[no description available]	medium	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	1	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	1	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine	[no description available]	medium	1	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	2	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	2	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
glycine	[no description available]	medium	4	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	2	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	1	cyclitol; hexol
niacinamide	[no description available]	medium	1	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	1	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
orotic acid	[no description available]	medium	2	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenylacetic acid	[no description available]	medium	1	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyrazinamide	[no description available]	medium	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	medium	1	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	1	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	3	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	2	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	hydroxyflavan
menthol	[no description available]	medium	1	p-menthane monoterpenoid; secondary alcohol	volatile oil component
acebutolol	[no description available]	medium	1	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	1	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetazolamide	[no description available]	medium	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	1	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol	[no description available]	medium	1	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	1	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	1	aromatic amine
aminoglutethimide	[no description available]	medium	1	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine	[no description available]	medium	1	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline	[no description available]	medium	1	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone	[no description available]	medium	1	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	1	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	1	barbiturates
amsacrine	[no description available]	medium	4	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	methoxybenzenes
anthralin	[no description available]	medium	1	anthracenes	antipsoriatic
aspirin	[no description available]	medium	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	1	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	1	barbiturates	drug allergen
bendazac	[no description available]	medium	1	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	1	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	1	biphenyls; imidazoles
bisoprolol	[no description available]	medium	1	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	organic molecular entity
bumetanide	[no description available]	medium	1	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	1	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	1	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	1	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital	[no description available]	medium	1	barbiturates	analgesic; sedative
caffeine	[no description available]	medium	2	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
verapamil	[no description available]	medium	1	aromatic ether; nitrile; polyether; tertiary amino compound
candesartan cilexetil	[no description available]	medium	1	biphenyls
carisoprodol	[no description available]	medium	1	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	1	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen	[no description available]	medium	1	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol	[no description available]	medium	1	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib	[no description available]	medium	1	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	1	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	1	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	1	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	1	benzodiazepine
chlormezanone	[no description available]	medium	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroquine	[no description available]	medium	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxylenol	[no description available]	medium	1	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpropamide	[no description available]	medium	1	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cimetidine	[no description available]	medium	1	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
ciprofloxacin	[no description available]	medium	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride	[no description available]	medium	1	benzamides
citalopram	[no description available]	medium	1	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	1	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	1	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	1	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	2	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	1	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	organic molecular entity
clotrimazole	[no description available]	medium	1	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclandelate	[no description available]	medium	1	carboxylic ester; secondary alcohol	vasodilator agent
danthron	[no description available]	medium	1	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	1	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	1	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine	[no description available]	medium	1	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazoxide	[no description available]	medium	1	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
diflunisal	[no description available]	medium	1	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	1	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
dipyridamole	[no description available]	medium	1	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
droperidol	[no description available]	medium	1	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	1	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	1	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid	[no description available]	medium	1	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide	[no description available]	medium	1	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac	[no description available]	medium	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810	[no description available]	medium	1	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	1	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	1	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fentanyl	[no description available]	medium	2	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	1	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	1	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	1	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	1	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	4	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	1	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furosemide	[no description available]	medium	1	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	1	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	1	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	1	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	1	piperidines
glyburide	[no description available]	medium	1	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
gossypol	[no description available]	medium	1
guaiazulene	[no description available]	medium	1	sesquiterpene
fasudil	[no description available]	medium	1	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
halothane	[no description available]	medium	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	1	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	stilbenoid
hexetidine	[no description available]	medium	1	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hexobarbital	[no description available]	medium	1	barbiturates
hydralazine	[no description available]	medium	1	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	3	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine	[no description available]	medium	1	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	1	primary amine
lidocaine	[no description available]	medium	2	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide	[no description available]	medium	1	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine	[no description available]	medium	2	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	1	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	1	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indomethacin	[no description available]	medium	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iohexol	[no description available]	medium	1	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	1	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	1	carbohydrazide; pyridines
avapro	[no description available]	medium	1	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	1	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	1	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	1	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	medium	1	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	1	alkylbenzene
isradipine	[no description available]	medium	1	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	1	piperazines
ketamine	[no description available]	medium	1	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoconazole	[no description available]	medium	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	1	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
khellin	[no description available]	medium	1	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
labetalol	[no description available]	medium	1	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	1	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lofepramine	[no description available]	medium	1	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	1	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	1	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
malathion	[no description available]	medium	1	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	isopropyl ester
mazindol	[no description available]	medium	1	organic molecular entity
mebendazole	[no description available]	medium	1	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	1	diarylmethane
meclofenoxate	[no description available]	medium	1	monocarboxylic acid
mefenamic acid	[no description available]	medium	1	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
vitamin k 3	[no description available]	medium	1	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine	[no description available]	medium	1	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mephenytoin	[no description available]	medium	1	imidazolidine-2,4-dione	anticonvulsant
mepivacaine	[no description available]	medium	1	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	1	organic molecular entity
mesalamine	[no description available]	medium	1	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methoxsalen	[no description available]	medium	1	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	1	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	1	organic molecular entity
metoclopramide	[no description available]	medium	1	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	1	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	2	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone	[no description available]	medium	1	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
miconazole	[no description available]	medium	1	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	medium	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
minoxidil	[no description available]	medium	1	dialkylarylamine; tertiary amino compound
mirtazapine	[no description available]	medium	1	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane	[no description available]	medium	1	diarylmethane
mitoxantrone	[no description available]	medium	1	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil	[no description available]	medium	1	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	1	monoterpenoid
deet	[no description available]	medium	1	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	1	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	1	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	1	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	1	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide	[no description available]	medium	1	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	organic molecular entity
nifedipine	[no description available]	medium	2	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	1	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	1	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	1	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	1	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	medium	1	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nizatidine	[no description available]	medium	1	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
masoprocol	[no description available]	medium	1	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	1	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	medium	1	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	1	carbazoles
orphenadrine	[no description available]	medium	1	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	1	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin	[no description available]	medium	1	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	1	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	amino acid amide
oxprenolol	[no description available]	medium	1	aromatic ether
oxybenzone	[no description available]	medium	1	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	1	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	1	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	1	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	1	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	2	oxopurine
perazine	[no description available]	medium	1	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
perphenazine	[no description available]	medium	1	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	1	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	2	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	1	phenols
phenoxybenzamine	[no description available]	medium	1	aromatic amine
moxonidine	[no description available]	medium	1	organohalogen compound; pyrimidines
pinacidil	[no description available]	medium	1	pyridines
pipemidic acid	[no description available]	medium	1	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	1	isoquinolines
primaquine	[no description available]	medium	1	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	1	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	1	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	1	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	1	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procarbazine	[no description available]	medium	1	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	1	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
promethazine	[no description available]	medium	1	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pyridinolcarbamate	[no description available]	medium	1	pyridines
ranitidine	[no description available]	medium	1	aralkylamine
opc 12759	[no description available]	medium	1	secondary carboxamide
riluzole	[no description available]	medium	1	benzothiazoles
risperidone	[no description available]	medium	1	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	medium	1	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	1	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	medium	1	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sotalol	[no description available]	medium	1	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
vorinostat	[no description available]	medium	1	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	1	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	2	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	medium	1	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	medium	1	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	medium	1	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfanilamide	[no description available]	medium	1	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	1	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine	[no description available]	medium	1	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1
sulfinpyrazone	[no description available]	medium	1	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	alkylbenzene
sulpiride	[no description available]	medium	1	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
suprofen	[no description available]	medium	1	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin	[no description available]	medium	1	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
gatifloxacin	[no description available]	medium	1	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	1	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	1	benzodiazepine
temozolomide	[no description available]	medium	4	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline	[no description available]	medium	1	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terfenadine	[no description available]	medium	1	diarylmethane
tetracaine	[no description available]	medium	1	benzoate ester; tertiary amino compound	local anaesthetic
thalidomide	[no description available]	medium	1	phthalimides; piperidones
thiabendazole	[no description available]	medium	1	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tiaprofenic acid	[no description available]	medium	1	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	1	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	1	N-acyl-amino acid
tizanidine	[no description available]	medium	1	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazamide	[no description available]	medium	1	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone	[no description available]	medium	1	aromatic ketone
ultram	[no description available]	medium	1	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	1	amino acid
trazodone	[no description available]	medium	1	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triclosan	[no description available]	medium	1	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
triflupromazine	[no description available]	medium	1	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethadione	[no description available]	medium	1	oxazolidinone	anticonvulsant; geroprotector
troglitazone	[no description available]	medium	1	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
venlafaxine	[no description available]	medium	1	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	organic molecular entity
vigabatrin	[no description available]	medium	1	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	1	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	1	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	1	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	1	corticosteroid hormone
mitomycin	[no description available]	medium	1	mitomycin	alkylating agent; antineoplastic agent
prednisolone	[no description available]	medium	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol	[no description available]	medium	1	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine	[no description available]	medium	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
cephaloridine	[no description available]	medium	1	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
sorbitol	[no description available]	medium	1	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	nucleobase analogue; pyrimidines	mutagen
histamine dihydrochloride	[no description available]	medium	1
dextroamphetamine	[no description available]	medium	1	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
norethindrone acetate	[no description available]	medium	1	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
spironolactone	[no description available]	medium	1	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital	[no description available]	medium	1	barbiturates
allobarbital	[no description available]	medium	1	barbiturates
penicillamine	[no description available]	medium	1	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	1	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
prednisone	[no description available]	medium	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone	[no description available]	medium	1	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	1	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	NAD	geroprotector
penicillin g	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
triiodothyronine	[no description available]	medium	1	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
chloramphenicol	[no description available]	medium	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
glutamine	[no description available]	medium	1	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	1	organic bromide salt; quaternary ammonium salt	detergent; surfactant
vincristine	[no description available]	medium	1	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	medium	2	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol	[no description available]	medium	1	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	1	steroid ester
aminopyrine	[no description available]	medium	1	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	benzoquinolizine; cyclic ketone; tertiary amino compound
cephalothin	[no description available]	medium	1	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	medium	5	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	1	kanamycins	bacterial metabolite
phenylephrine	[no description available]	medium	1	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
levodopa	[no description available]	medium	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
niridazole	[no description available]	medium	1	1,3-thiazoles; C-nitro compound
lactose	[no description available]	medium	1	lactose
methionine	[no description available]	medium	6	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	organic molecular entity
colchicine	[no description available]	medium	1	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
norethindrone	[no description available]	medium	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	oxo steroid
benziodarone	[no description available]	medium	1	aromatic ketone
ampicillin	[no description available]	medium	1	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	medium	9	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	1	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
mestranol	[no description available]	medium	1	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	1	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1
tryptophan	[no description available]	medium	3	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
triamcinolone acetonide	[no description available]	medium	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
allylpropymal	[no description available]	medium	1	barbiturates
butobarbital	[no description available]	medium	1	barbiturates
trichloroethylene	[no description available]	medium	1	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	1	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
methylprednisolone	[no description available]	medium	1	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
isosorbide dinitrate	[no description available]	medium	1	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
synephrine	[no description available]	medium	1	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	carbonyl compound
furan	[no description available]	medium	1	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	1	bromide salt
phenformin	[no description available]	medium	1	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
hexachlorobenzene	[no description available]	medium	1	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	trinitrotoluene	explosive
framycetin	[no description available]	medium	1	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	4	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	1	quinolines
mequinol	[no description available]	medium	1	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	1	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	1	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1
evans blue	[no description available]	medium	1	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	1	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	2	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol	[no description available]	medium	1	aminopyridine
carbutamide	[no description available]	medium	1	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	steroid ester
bucladesine	[no description available]	medium	1	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
betamethasone	[no description available]	medium	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
perflubron	[no description available]	medium	1	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
dextropropoxyphene	[no description available]	medium	1	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	1	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	1	phthalazines
phenylpropanolamine	[no description available]	medium	1	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	1	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	1	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
chlormethiazole	[no description available]	medium	1	thiazoles
methamphetamine	[no description available]	medium	1	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	medium	1	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1
lactulose	[no description available]	medium	1	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
acetylcysteine	[no description available]	medium	3	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin stearate	[no description available]	medium	1	aminoglycoside
erythromycin	[no description available]	medium	1	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	1
estradiol valerate	[no description available]	medium	1	steroid ester
vancomycin	[no description available]	medium	1	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol	[no description available]	medium	3	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
dronabinol	[no description available]	medium	1	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	2	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
sulfadoxine	[no description available]	medium	1	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	1	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	1	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
iproclozide	[no description available]	medium	1	aromatic ether
streptomycin	[no description available]	medium	1	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	1	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin disodium	[no description available]	medium	1	organic sodium salt
dehydroemetine	[no description available]	medium	1	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	carbonyl compound
trimetazidine	[no description available]	medium	1	aromatic amine
floxacillin	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug
tiadenol	[no description available]	medium	1	aliphatic sulfide
zalcitabine	[no description available]	medium	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
camptothecin	[no description available]	medium	6	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	benzamides
selegiline	[no description available]	medium	1	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	1	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol	[no description available]	medium	1	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
isosorbide-5-mononitrate	[no description available]	medium	1	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	1	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	2	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	2	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	indoles
tetrachloroethylene	[no description available]	medium	1	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1
glutamic acid	[no description available]	medium	3	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	1	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug
nicergoline	[no description available]	medium	1	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	1	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	1	pyrroline
tobramycin	[no description available]	medium	1	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	6	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
dobutamine	[no description available]	medium	1	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
amikacin	[no description available]	medium	1	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	1	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	1	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	1
diltiazem	[no description available]	medium	2	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
benoxaprofen	[no description available]	medium	1	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	1	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	dichlorobenzene
epirubicin	[no description available]	medium	1	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane	[no description available]	medium	1	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	1	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	1	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	1	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	1	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	1	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
cefaclor anhydrous	[no description available]	medium	1	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	1
lovastatin	[no description available]	medium	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	1	aromatic ketone
piritrexim	[no description available]	medium	1
simvastatin	[no description available]	medium	2	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	1	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	1	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	1	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	N-arylpiperazine
mifepristone	[no description available]	medium	2	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sparfloxacin	[no description available]	medium	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	1	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	1	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	1	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	1	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	1	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	1	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine	[no description available]	medium	1	duloxetine
irinotecan	[no description available]	medium	1	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	1	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adefovir dipivoxil	[no description available]	medium	1	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	67	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	quinazolines
ortho-cept	[no description available]	medium	1
cefprozil	[no description available]	medium	1	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	stilbenoid
efavirenz	[no description available]	medium	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	1	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	benzimidazoles
erdosteine	[no description available]	medium	1	N-acyl-amino acid
mizolastine	[no description available]	medium	1	benzimidazoles
intoplicine	[no description available]	medium	1	pyridoindole
telmisartan	[no description available]	medium	1	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	1	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol	[no description available]	medium	1	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	imidazoles
sertraline	[no description available]	medium	1	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	morpholines; pyrazines; secondary carboxamide
dexrazoxane	[no description available]	medium	1	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	1	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
cyclobutyrol	[no description available]	medium	1	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	polypeptide
isoflavone	[no description available]	medium	1	isoflavones
clevudine	[no description available]	medium	1
tetrandrine	[no description available]	medium	1	bisbenzylisoquinoline alkaloid; isoquinolines
rosiglitazone	[no description available]	medium	1	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
lopinavir	[no description available]	medium	1	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	1	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	1	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	1	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
nitisinone	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	high	1	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	2	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1
sulbactam	[no description available]	medium	1	penicillanic acids
olmesartan medoxomil	[no description available]	medium	1	biphenyls
ilomastat	[no description available]	medium	1	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
docetaxel	[no description available]	medium	1	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	1	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	1	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe	[no description available]	medium	1	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1
tezosentan	[no description available]	medium	1
moxifloxacin	[no description available]	medium	1	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[no description available]	medium	1
cyc 202	[no description available]	medium	3	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	1	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	monoterpenoid
troleandomycin	[no description available]	medium	1	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	1	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	1-benzofurans
estramustine	[no description available]	medium	1	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
noscapine	[no description available]	medium	1	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	medium	1	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib	[no description available]	medium	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir	[no description available]	medium	1	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
nexavar	[no description available]	medium	1	organosulfonate salt
glucosamine	[no description available]	medium	1	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
quinidine	[no description available]	medium	1	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
meropenem	[no description available]	medium	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin	[no description available]	medium	1	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	1	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	1	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	1
trimethaphan camsylate	[no description available]	medium	1
erythromycin estolate	[no description available]	medium	1	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	1	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	1	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	1	organic molecular entity
acarbose	[no description available]	medium	1	amino cyclitol; glycoside
tretinoin	[no description available]	medium	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
retinol	[no description available]	medium	1	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	2	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus	[no description available]	medium	1	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	1	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	medium	1	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
eicosapentaenoic acid	[no description available]	medium	1	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
mycophenolic acid	[no description available]	medium	1	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
clindamycin	[no description available]	medium	1
fosfomycin	[no description available]	medium	1	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	1
diethylstilbestrol	[no description available]	medium	1	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
alitretinoin	[no description available]	medium	1	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	2	2'-deoxyribonucleoside
teniposide	[no description available]	medium	1	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin	[no description available]	medium	19	actinomycin	mutagen
tiazofurin	[no description available]	medium	1	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	2	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
tenofovir	[no description available]	medium	1	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
rubitecan	[no description available]	medium	1	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin	[no description available]	medium	1	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	medium	1	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
dipyrone	[no description available]	medium	1	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	organic molecular entity
carbenoxolone	[no description available]	medium	1
discodermolide	[no description available]	medium	1	diterpenoid
cannabidiol	[no description available]	medium	1	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
propylthiouracil	[no description available]	medium	1	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
prothionamide	[no description available]	medium	1	pyridines
etomidate	[no description available]	medium	1	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	1	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin	[no description available]	medium	1	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	1	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	2	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	1
sodium propionate	[no description available]	medium	1	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	1	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	1
ethionamide	[no description available]	medium	1	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	1	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647	[no description available]	medium	1
toremifene	[no description available]	medium	1	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	stilbenoid
or 1259	[no description available]	medium	1	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	1	steroid	estrogen
orlistat	[no description available]	medium	1	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	stilbenoid
zd 6474	[no description available]	medium	1	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1
chloramine-t	[no description available]	medium	1	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	quinolines
tolcapone	[no description available]	medium	1	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
calcitriol	[no description available]	medium	1	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	1	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
cholecalciferol	[no description available]	medium	1	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	1	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	1	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	2	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
oxymetholone	[no description available]	medium	1
montelukast	[no description available]	medium	1	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil	[no description available]	medium	1	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone	[no description available]	medium	1	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine	[no description available]	medium	1	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	1	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	1	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	1	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	1
ozagrel	[no description available]	medium	1	cinnamic acids
pitavastatin	[no description available]	medium	1	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1
codeine	[no description available]	medium	1	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine	[no description available]	medium	1	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	1	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
acitretin	[no description available]	medium	1	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	dothiepin
levetiracetam	[no description available]	medium	1	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	morphinane alkaloid
naloxone	[no description available]	medium	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	1	morphinane alkaloid
sirolimus	[no description available]	medium	3	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate	[no description available]	medium	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
alvocidib	[no description available]	medium	1	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1
fenretinide	[no description available]	medium	1	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine	[no description available]	medium	2	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
demycarosylturimycin h	[no description available]	medium	1
iloprost	[no description available]	medium	1	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
vinorelbine	[no description available]	medium	1	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
furazolidone	[no description available]	medium	1
fluvoxamine	[no description available]	medium	1	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine	[no description available]	medium	1	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
naltrexone	[no description available]	medium	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan	[no description available]	medium	1	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
cefixime	[no description available]	medium	1	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	1	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	1	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
indinavir sulfate	[no description available]	medium	1	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	1	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1
bleomycin	[no description available]	medium	1	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	1	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril	[no description available]	medium	1	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	1	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ceftriaxone	[no description available]	medium	1	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril	[no description available]	medium	1	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz acetate	[no description available]	medium	1	dichlorobenzene	geroprotector
famotidine	[no description available]	medium	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	1	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	1	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	prostanoid
ixabepilone	[no description available]	medium	1	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
dantrolene sodium	[no description available]	medium	1
nifurtimox	[no description available]	medium	1	nitrofuran antibiotic
roxithromycin	[no description available]	medium	1	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1
lu 208075	[no description available]	medium	1	diarylmethane
acetylcarnitine	[no description available]	medium	1	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	1
eflucimibe	[no description available]	medium	1
etomoxir	[no description available]	medium	1	aromatic ether
pentagastrin	[no description available]	medium	1	organic molecular entity
gentamicin sulfate	[no description available]	medium	1
azd 6244	[no description available]	medium	1	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
vinflunine	[no description available]	medium	1	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	1	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1
amodiaquine hydrochloride	[no description available]	medium	1
tannins	[no description available]	medium	1	tannin
mesna	[no description available]	medium	1	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1
oxacillin sodium	[no description available]	medium	1	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	2	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	2	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	1
chlortetracycline	[no description available]	medium	1
oxytetracycline, anhydrous	[no description available]	medium	1
minocycline	[no description available]	medium	1
piroxicam	[no description available]	medium	1	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	1	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	medium	1	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	1	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
phenprocoumon	[no description available]	medium	1	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[no description available]	medium	1
lornoxicam	[no description available]	medium	1	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1
entecavir	[no description available]	medium	1	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug
folic acid	[no description available]	medium	1	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	2	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
dacarbazine	[no description available]	medium	1	dacarbazine
didanosine	[no description available]	medium	1	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	1	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir	[no description available]	medium	1	2-aminopurines; propane-1,3-diols	antiviral drug
raltitrexed	[no description available]	medium	1	N-acyl-amino acid
leucovorin	[no description available]	medium	1	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1
tirapazamine	[no description available]	medium	1	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	1
2-aminoadenosine	[no description available]	medium	1	purine nucleoside
5'-deoxy-5'-s-isobutylthioadenosine	[no description available]	medium	1
5'-chloro-5'-deoxyadenosine	[no description available]	medium	1	adenosines
2'-amino-2'-deoxyuridine	[no description available]	medium	1
5'-amino-5'-deoxyadenosine	[no description available]	medium	1
n-(3-(aminomethyl)benzyl)acetamidine	[no description available]	medium	1	aralkylamine; carboxamidine; primary amino compound	angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector
2-chloroadenosine	[no description available]	medium	2	purine nucleoside
2-fluoroadenosine	[no description available]	medium	2	adenosines; organofluorine compound
2-fluoroadenine	[no description available]	medium	1	organofluorine compound; purines	antineoplastic agent
2-chloroadenine	[no description available]	medium	1
2-chloro-3'-deoxyadenosine	[no description available]	medium	1
sofosbuvir	[no description available]	medium	1	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
tebuconazole	[no description available]	medium	1	monochlorobenzenes; tertiary alcohol; triazoles
corydaline	[no description available]	medium	1	isoquinoline alkaloid; isoquinolines
N-(1,3-benzodioxol-5-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide	[no description available]	medium	1	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole	[no description available]	medium	1	benzodioxoles
formycin b	[no description available]	medium	1	formycin
puromycin aminonucleoside	[no description available]	medium	2	3'-deoxyribonucleoside; adenosines
benzonidazole	[no description available]	medium	1	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
palmitic acid	[no description available]	medium	2	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
galactose	[no description available]	medium	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
malondialdehyde	[no description available]	medium	7	dialdehyde	biomarker
cyclin d1	[no description available]	medium	3
thymoquinone	[no description available]	medium	2	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
3'-deoxyinosine	[no description available]	medium	5
butyric acid	[no description available]	medium	1	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	2	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
angiotensin ii	[no description available]	medium	3	amino acid zwitterion; angiotensin II	human metabolite
rotenone	[no description available]	medium	3	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
anisomycin	[no description available]	medium	2	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
cadmium	[no description available]	medium	1	cadmium molecular entity; zinc group element atom
xylose	[no description available]	medium	3	D-xylose
histidine	[no description available]	medium	1	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
selenium	[no description available]	medium	3	chalcogen; nonmetal atom	micronutrient
cellulose	[no description available]	medium	1	glycoside
caseins	[no description available]	medium	1
casein hydrolysate	[no description available]	medium	1
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	2	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
fingolimod hydrochloride	[no description available]	medium	1	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
3'-deoxyadenosine 5'-triphosphate	[no description available]	medium	3	purine ribonucleoside 5'-triphosphate	antifungal agent; antimetabolite; antineoplastic agent; antiviral agent
transforming growth factor beta	[no description available]	medium	5
5-methylcytosine	[no description available]	medium	1	methylcytosine; pyrimidines	human metabolite
resveratrol	[no description available]	medium	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
5-hydroxymethylcytosine	[no description available]	medium	1	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
chitosan	[no description available]	medium	4
phenyl acetate	[no description available]	medium	1	benzenes; phenyl acetates
gibberellins	[no description available]	medium	1
gibberellic acid	[no description available]	medium	1	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
methyl jasmonate	[no description available]	medium	1
cyclopentane	[no description available]	medium	1	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
deuterium oxide	[no description available]	medium	1	deuterated compound; water	NMR solvent
nadp	[no description available]	medium	1
propylene glycol	[no description available]	medium	1	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
xylitol	[no description available]	medium	1
latrunculin b	[no description available]	medium	1	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
brefeldin a	[no description available]	medium	1	macrolide antibiotic	Penicillium metabolite
cycloheximide	[no description available]	medium	28	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
oryzalin	[no description available]	medium	1	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide
dinitrobenzenes	[no description available]	medium	1
thiazolidines	[no description available]	medium	1	thiazolidine
transferrin	[no description available]	medium	1
diethylnitrosamine	[no description available]	medium	1	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
pentostatin	[no description available]	medium	12	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
epiglucan	[no description available]	medium	2
selenomethionine	[no description available]	medium	1	selenoamino acid; selenomethionines	plant metabolite
selenious acid	[no description available]	medium	1	selenium oxoacid
selenic acid	[no description available]	medium	1	selenium oxoacid
cystine	[no description available]	medium	1
selenocystine	[no description available]	medium	1	diselenide; selenoamino acid
dinitrochlorobenzene	[no description available]	medium	1	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
dinitrofluorobenzene	[no description available]	medium	1	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
histamine	[no description available]	medium	1	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
pentazocine	[no description available]	medium	1	benzazocine
cytochrome c-t	[no description available]	medium	2
s-adenosylmethionine	[no description available]	medium	3	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
adenosine kinase	[no description available]	medium	7
carbodiimides	[no description available]	medium	1	carbodiimide
n-methylaspartate	[no description available]	medium	1	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
h 89	[no description available]	medium	1	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
cuprizone	[no description available]	medium	1	organonitrogen compound; organooxygen compound
vinyl acetate	[no description available]	medium	2	acetate ester
2-methyltetrahydrofuran	[no description available]	medium	1
1-anilino-8-naphthalenesulfonate	[no description available]	medium	3	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
andrographolide	[no description available]	medium	1	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
acetaldehyde	[no description available]	medium	1	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
concanavalin a	[no description available]	medium	1
adenosine monophosphate	[no description available]	medium	2	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
trehalose	[no description available]	medium	1	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
trehalose-6-phosphate	[no description available]	medium	1	trehalose phosphate	Escherichia coli metabolite
galactose	[no description available]	medium	2
cadmium chloride	[no description available]	medium	1	cadmium coordination entity
malealdehyde	[no description available]	medium	1	but-2-enedial
ergosterol	[no description available]	medium	3	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	1
adenosine diphosphate	[no description available]	medium	2	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
thromboxane a2	[no description available]	medium	3	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
fibrinogen	[no description available]	medium	1	iditol	fungal metabolite
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
8-bromoadenosine-3',5'-cyclic monophosphorothioate	[no description available]	medium	1
deoxycytidine	[no description available]	medium	3	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
gemcitabine	[no description available]	medium	1	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ovalbumin	[no description available]	medium	2
alloxan	[no description available]	medium	1	pyrimidone	hyperglycemic agent; metabolite
ergothioneine	[no description available]	medium	1	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
vitamin d 2	[no description available]	medium	1	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
neplanocin a	[no description available]	medium	1
pyrazines	[no description available]	medium	1	diazine; pyrazines	Daphnia magna metabolite
glycylproline	[no description available]	medium	1	dipeptide zwitterion; dipeptide	metabolite
rhamnose	[no description available]	medium	2	L-rhamnose
glycosides	[no description available]	medium	1
gyki 52466	[no description available]	medium	1	benzodiazepine
tetradecanoylphorbol acetate	[no description available]	medium	5	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
calcimycin	[no description available]	medium	2	benzoxazole
oxidopamine	[no description available]	medium	1	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
bisphenol a	[no description available]	medium	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
n6-(2-hydroxyethyl)adenosine	[no description available]	medium	1
abscisic acid	[no description available]	medium	2	2-trans-abscisic acid
ammonium chloride	[no description available]	medium	1	ammonium salt; inorganic chloride	ferroptosis inhibitor
okadaic acid	[no description available]	medium	1	ketal
calyculin a	[no description available]	medium	1
oxazoles	[no description available]	medium	1	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
guanosine	[no description available]	medium	2	guanosines; purines D-ribonucleoside	fundamental metabolite
cardiovascular agents	[no description available]	medium	1
benzene	[no description available]	medium	1	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
sulfaperine	[no description available]	medium	1	pyrimidines; substituted aniline; sulfonamide antibiotic	antibacterial drug
calpain	[no description available]	medium	1
propidium	[no description available]	medium	1	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
thapsigargin	[no description available]	medium	2	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
thiophenol	[no description available]	medium	1	aryl thiol
n-iodosuccinimide	[no description available]	medium	1	dicarboximide; pyrrolidinone
pd 98059	[no description available]	medium	2	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
1-methyl-3-isobutylxanthine	[no description available]	medium	2	3-isobutyl-1-methylxanthine
s-adenosylhomocysteine	[no description available]	medium	2	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	[no description available]	medium	1	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite
interleukin-8	[no description available]	medium	1
uridine triphosphate	[no description available]	medium	3	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
mocetinostat	[no description available]	medium	1	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
3'-deoxycytidine	[no description available]	medium	1
triphosphoric acid	[no description available]	medium	1	acyclic phosphorus acid anhydride; phosphorus oxoacid
deoxyglucose	[no description available]	medium	1
mannose	[no description available]	medium	1	D-aldohexose; D-mannose; mannopyranose	metabolite
ribose	[no description available]	medium	2	D-ribose; ribopyranose
guanine	[no description available]	medium	2	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
D-fructopyranose	[no description available]	medium	1	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
purine	[no description available]	medium	1	purine
leucine	[no description available]	medium	1	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
puromycin	[no description available]	medium	3	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
pyrophosphate	[no description available]	medium	1	diphosphate ion
metaperiodate	[no description available]	medium	1	iodine oxoacid
deoxyribose	[no description available]	medium	1	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
azides	[no description available]	medium	1	pseudohalide anion	mitochondrial respiratory-chain inhibitor
3'-amino-3'-deoxyadenosine	[no description available]	medium	1
hypoxanthine	[no description available]	medium	1	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
lysine	[no description available]	medium	1	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
diuron	[no description available]	medium	2	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
dibromothymoquinone	[no description available]	medium	2	1,4-benzoquinones	cytochrome-b6f complex inhibitor
thiazolyl blue	[no description available]	medium	2	organic bromide salt	colorimetric reagent; dye
dapi	[no description available]	medium	3	indoles	fluorochrome
thiazoles	[no description available]	medium	2	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
dichlororibofuranosylbenzimidazole	[no description available]	medium	6
5-carboxytetramethylrhodamine succinimidyl ester	[no description available]	medium	1
cactinomycin	[no description available]	medium	1
sepharose	[no description available]	medium	1
mrs 1191	[no description available]	medium	1	cinnamate ester
dihydropyridines	[no description available]	medium	1
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1
nitrates	[no description available]	medium	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
cyclic gmp	[no description available]	medium	1	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	1
phosphorus radioisotopes	[no description available]	medium	3
arsenic	[no description available]	medium	1	metalloid atom; pnictogen	micronutrient
indirubin-3'-monoxime	[no description available]	medium	1
arsenic trioxide	[no description available]	medium	1
ammonium hydroxide	[no description available]	medium	1	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
4-hydroxy-2-nonenal	[no description available]	medium	1	4-hydroxynon-2-enal; 4-hydroxynonenal
chlorine	[no description available]	medium	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
manganese	[no description available]	medium	3	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
2'-deoxyadenosine triphosphate	[no description available]	medium	2	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
adozelesin	[no description available]	medium	1
aphidicolin	[no description available]	medium	4	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
benzofurans	[no description available]	medium	1
acivicin	[no description available]	medium	1	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
antimony sodium gluconate	[no description available]	medium	1
deoxyinosine	[no description available]	medium	1	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
pentamidine	[no description available]	medium	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pyronaridine	[no description available]	medium	1	aminoquinoline
isoxazoles	[no description available]	medium	1	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
cytidine triphosphate	[no description available]	medium	1	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
dideoxyadenosine	[no description available]	medium	1	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor
bucladesine	[no description available]	medium	2	3',5'-cyclic purine nucleotide
glucagon	[no description available]	medium	2	peptide hormone
8-((4-chlorophenyl)thio)cyclic-3',5'-amp	[no description available]	medium	1	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound	protein kinase agonist
linoleic acid	[no description available]	medium	1	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
metrizamide	[no description available]	medium	1	amino sugar
5-fluoropyrimidine	[no description available]	medium	1
t 30177	[no description available]	medium	1
oligonucleotides	[no description available]	medium	1
6-methylpurine	[no description available]	medium	1	purines	EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
daidzein	[no description available]	medium	1	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
genistein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amanitins	[no description available]	medium	3
ethylisopropylamiloride	[no description available]	medium	1	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
antimycin a	[no description available]	medium	1	amidobenzoic acid
fludarabine	[no description available]	medium	1	purine nucleoside
3-methylcholanthrene	[no description available]	medium	1	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
pyridine	[no description available]	medium	1	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
tetrodotoxin	[no description available]	medium	1	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
arginine	[no description available]	medium	1
n-methyladenosine	[no description available]	medium	1	methyladenosine
homocysteine	[no description available]	medium	1	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
topotecan	[no description available]	medium	1	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
2'-5'-oligoadenylate trimer	[no description available]	medium	2
benz(a)anthracene	[no description available]	medium	1	ortho-fused polycyclic arene; tetraphenes
arachidonic acid	[no description available]	medium	1	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
cytidine	[no description available]	medium	1	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nucleocidin	[no description available]	medium	0	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug
meglutol	[no description available]	low	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite
azauridine	[no description available]	low	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
bromodeoxyuridine	[no description available]	low	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
cycloserine	[no description available]	low	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
trifluridine	[no description available]	low	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
oxythiamine	[no description available]	low	0	1,3-thiazolium cation	antimetabolite; vitamin B1 antagonist
diazooxonorleucine	[no description available]	low	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
6-aminonicotinamide	[no description available]	low	0	aminopyridine; monocarboxylic acid amide; primary amino compound	antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent
2-aminopurine	[no description available]	low	0	2-aminopurines; nucleobase analogue	antimetabolite
toyocamycin	[no description available]	low	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
nsc-145,668	[no description available]	low	0	hydrochloride	antimetabolite; antineoplastic agent
ancitabine	[no description available]	low	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
ethionine	[no description available]	low	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
fludarabine phosphate	[no description available]	low	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
brequinar	[no description available]	low	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
gemcitabine hydrochloride	[no description available]	low	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
azauracil	[no description available]	low	0	1,2,4-triazines; nucleobase analogue	antimetabolite
5-iodouracil	[no description available]	low	0	organoiodine compound	antimetabolite
10-propargyl-10-deazaaminopterin	[no description available]	low	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
cyc 682	[no description available]	low	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
i-677	[no description available]	low	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite
canaline	[no description available]	low	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
azaserine	[no description available]	low	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
thiouridine	[no description available]	low	0	nucleoside analogue; thiouridine	affinity label; antimetabolite
cerulenin	[no description available]	low	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rx-3117	[no description available]	low	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
anticapsin	[no description available]	low	0	alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor
brequinar sodium	[no description available]	low	0	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
azaguanine	[no description available]	low	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
pemetrexed	[no description available]	low	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
pyrazofurin	[no description available]	low	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester	[no description available]	low	0	3'-deoxyribonucleoside; purines
sinefungin	[no description available]	low	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
s-adenosyl-3-methylthiopropylamine	[no description available]	low	0	adenosines; sulfonium compound	Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite
adenosine-5'-carboxaldehyde	[no description available]	low	0	adenosines
2'-deoxy-2-fluoroadenosine	[no description available]	low	0	adenosines; organofluorine compound
adenosine-5'-(n-ethylcarboxamide)	[no description available]	low	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
adenosine-5'-(N-propyl)carboxamide	[no description available]	low	0	adenosines; monocarboxylic acid amide
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine	[no description available]	low	0	adenosines; dicarboxylic acid monoamide; monocarboxylic acid	adenosine A2A receptor agonist; anti-inflammatory agent
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine	[no description available]	low	0	adenosines; monocarboxylic acid amide; organoiodine compound
succinyladenosine	[no description available]	low	0	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite

cordycepin

Cross-References

Synonyms (71)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (2)

Drug Classes (2)

Pathways (2)

Protein Targets (13)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (6)

Molecular Functions (2)

Ceullar Components (3)

Bioassays (92)

Research

Studies (579)

Study Types

Clinical Trials (2)

Trial Overview

Research Highlights

Safety/Toxicity (7)

Long-term Use (1)

Pharmacokinetics (2)

Bioavailability (4)

Dosage (11)

Interactions (3)

Article	Year
Cordycepin Enhances the Cytotoxicity of Human Natural Killer Cells against Cancerous Cells. Biological & pharmaceutical bulletin, Volume: 46, Issue: 9	2023
Neuroprotection of cordycepin in NMDA-induced excitotoxicity by modulating adenosine A European journal of pharmacology, Jun-15, Volume: 853	2019
Cordycepin rescues lidocaine-induced neurotoxicity in dorsal root ganglion by interacting with inflammatory signaling pathway MMP3. European journal of pharmacology, May-15, Volume: 827	2018
Fungal Cordycepin Biosynthesis Is Coupled with the Production of the Safeguard Molecule Pentostatin. Cell chemical biology, 12-21, Volume: 24, Issue: 12	2017
Cordycepin protects PC12 cells against 6-hydroxydopamine induced neurotoxicity via its antioxidant properties. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 81	2016
Protective effect of cordycepin-enriched Cordyceps militaris on alcoholic hepatotoxicity in Sprague-Dawley rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 60	2013
Toxicity of cordycepin in combination with the adenosine deaminase inhibitor 2'-deoxycoformycin in beagle dogs. Toxicology and applied pharmacology, Volume: 147, Issue: 1	1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effect of long-term administration of cordycepin from Cordyceps militaris on testicular function in middle-aged rats. Planta medica, Volume: 78, Issue: 15	2012
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics of adenosine and cordycepin, a bioactive constituent of Cordyceps sinensis in rat. Journal of agricultural and food chemistry, Apr-28, Volume: 58, Issue: 8	2010
Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain. European journal of medicinal chemistry, Volume: 44, Issue: 2	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Cordycepin: A review of strategies to improve the bioavailability and efficacy. Phytotherapy research : PTR, Volume: 37, Issue: 9	2023
Improvement of the multi-performance biocharacteristics of cordycepin using BiloNiosome-core/chitosan-shell hybrid nanocarriers. Colloids and surfaces. B, Biointerfaces, Volume: 197	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Synthesis and pharmacokinetic evaluation of novel N-acyl-cordycepin derivatives with a normal alkyl chain. European journal of medicinal chemistry, Volume: 44, Issue: 2	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Cordycepin improved the cognitive function through regulating adenosine A Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 110	2023
COVID-19 disease and malignant cancers: The impact for the International journal of biological sciences, Volume: 17, Issue: 14	2021
A novel nucleoside rescue metabolic pathway may be responsible for therapeutic effect of orally administered cordycepin. Scientific reports, 10-31, Volume: 9, Issue: 1	2019
Effects of cordycepin on spontaneous alternation behavior and adenosine receptors expression in hippocampus. Physiology & behavior, 02-01, Volume: 184	2018
Development of Cordycepin Formulations for Preclinical and Clinical Studies. AAPS PharmSciTech, Volume: 18, Issue: 8	2017
Cordycepin stimulated steroidogenesis in MA-10 mouse Leydig tumor cells through the protein kinase C Pathway. Journal of agricultural and food chemistry, May-16, Volume: 60, Issue: 19	2012
Cordycepin inhibits renal interstitial myofibroblast activation probably by inducing hepatocyte growth factor expression. Journal of pharmacological sciences, Volume: 117, Issue: 4	2011
The apoptotic effect of cordycepin on human OEC-M1 oral cancer cell line. Cancer chemotherapy and pharmacology, Volume: 60, Issue: 1	2007
Differential effects of heat shock and UVB light upon stress protein expression in epidermal keratinocytes. The Journal of biological chemistry, Nov-15, Volume: 267, Issue: 32	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Exploring the mechanism of cordycepin combined with doxorubicin in treating glioblastoma based on network pharmacology and biological verification. PeerJ, Volume: 10	2022
Ethylene carbodiimide-fixed donor splenocytes combined with cordycepin induce long-term protection to mice cardiac allografts. Transplant immunology, Volume: 56	2019
Toxicity of cordycepin in combination with the adenosine deaminase inhibitor 2'-deoxycoformycin in beagle dogs. Toxicology and applied pharmacology, Volume: 147, Issue: 1	1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

cordycepin

Cross-References

Synonyms (71)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (2)

Drug Classes (2)

Pathways (2)

Protein Targets (13)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (6)

Molecular Functions (2)

Ceullar Components (3)

Bioassays (92)

Research

Studies (579)

Study Types

Clinical Trials (2)

Trial Overview

Related Drugs (1,249)

Related Conditions (1,080)

Research Highlights

Safety/Toxicity (7)

Long-term Use (1)

Pharmacokinetics (2)

Bioavailability (4)

Dosage (11)

Interactions (3)