roflumilast profile

ID Source	ID
PubMed CID	449193
CHEMBL ID	193240
CHEBI ID	47657
SCHEMBL ID	19158
MeSH ID	M0385343

Synonym
apta-2217
daxas
by-217
libertek
daliresp
benzamide, 3-(cyclopropylmethoxy)-n-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
by217
b9302-107
byk20869
roflumilast [usan]
3-cyclopropylmethoxy-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
roflumilast (jan/usan/inn)
162401-32-3
D05744
daliresp (tn)
rof ,
3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
roflumilast ,
1XOQ
1XMU
3-cyclopropylmethoxy-4-difluoromethoxy-n-(3,5-di-chloropyrid-4-yl)benzamide
chembl193240 ,
bdbm14774
AKOS005146309
arq-151
b-9302-107
byk-20869
chebi:47657 ,
zoryve
FT-0660846
3-(cyclopropylmethoxy)-n-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
A24672
by 217
unii-0p6c6zop5u
roflumilast [usan:inn]
benzamide, 3-(cyclopropylmethoxy)-n-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
b 9302-107
0p6c6zop5u ,
HY-15455
CS-0963
BCP0726000146
NCGC00346566-01
BRD-K03194791-001-02-2
PB29130
roflumilast [mi]
roflumilast [inn]
roflumilast [vandf]
roflumilast [who-dd]
roflumilast [orange book]
roflumilast [ema epar]
roflumilast [mart.]
roflumilast [jan]
arq-154 (roflumilast foam)
AM84550
roflumilastum
S2131
c17h14cl2f2n2o3
gtpl6962
arq-151/zoryve (roflumilast cream)
DB01656
MLS006010074
smr002530074
SCHEMBL19158
3G4L
n-(3,5-dichloropyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide
DTXSID8044123 ,
byk 20869
AC-23383
AB01565852_02
J-510858
mfcd00938270
EX-A059
apta 2217
HMS3655P21
roflumilast, >=98% (hplc)
SW220196-1
BCP03736
3- cyclo-propylmethoxy-4-difluoromethoxy-n- [3, 5-di-chloropyrid-4-yl]- benzamid
roflumilast (daxas)
AS-14120
R0193
Q693482
HMS3884F09
AMY4219
HMS3748C19
CCG-268678
NCGC00346566-09
SY008710
BR164364
roflumilast- bio-x
EN300-7365610
roflumilast (mart.)
arq-151 (roflumilast cream)
dtxcid6024123
r03dx07

Research Excerpts

Overview

Roflumilast is a new US Food and Drug Administration (FDA)-approved topical phosphodiesterase inhibitor that shows promise for the treatment of mild-severe plaque psoriasis. The cream 0.3% is a once daily phosphodiedterase-4 inhibitor that was recently approved by the FDA.

Excerpt	Reference	Relevance
"Roflumilast is a novel therapeutic drug for chronic obstructive pulmonary disease (COPD). "	( Effects of Roflumilast on Patients with Chronic Obstructive Pulmonary Disease Treated with Inhaled Corticosteroid/Long-Acting Bai, H; Zeng, S; Zou, M, 2022)	2.55
"Roflumilast is a new US Food and Drug Administration (FDA)-approved topical phosphodiesterase inhibitor that shows promise for the treatment of mild-severe plaque psoriasis. "	( A Review of Topical Roflumilast for the Treatment of Plaque Psoriasis. Feldman, SR; Pixley, JN; Schaetzle, T, 2023)	2.68
"Roflumilast is a phosphodiesterase-4 inhibitor which treats chronic obstructive pulmonary disease (COPD). "	( A Single-center, Open-label, Parallel Control Study Comparing the Pharmacokinetics and Safety of a Single Oral Dose of Roflumilast and Its Active Metabolite Roflumilast N-oxide in Healthy Chinese and Caucasian Volunteers. Chen, S; Cui, G; Han, M; Li, JT; Lin, XY; Lu, X; Mi, N; Wang, J; Wu, W; Xiao, CY; Zhang, X, 2023)	2.56
"Roflumilast cream 0.3% is a once daily phosphodiesterase-4 inhibitor that was recently approved by the FDA for the treatment of plaque psoriasis in adolescents and adults."	( Topical roflumilast for the treatment of psoriasis. Drakos, A; Torres, T; Vender, R, )	1.29
"Roflumilast is a potent selective inhibitor of the phosphodiesterase-4 enzyme which greatly manifest an anti-inflammatory activity in chronic obstructive pulmonary patients. "	( Roflumilast ameliorates diabetic nephropathy in rats through down-regulation of JAK/STAT signaling pathway. Chudasama, P; Patel, P; Patel, S; Raval, M; Soni, S, 2023)	3.8
"Roflumilast is a highly selective phosphodiesterase-4 inhibitor for the treatment of plaque psoriasis. "	( Topical Roflumilast for Plaque Psoriasis. Gooderham, M; O'Toole, A, 2023)	2.79
"Roflumilast (Roflu) is a promising candidate for treating neuroinflammatory diseases."	( Roflumilast attenuates neuroinflammation post retinal ischemia/reperfusion injury by regulating microglia phenotype via the Nrf2/STING/NF-κB pathway. Chen, L; Cheng, H; Guo, Y; Liu, Q; Ma, M; Ou, C; Wu, J; Xiong, K; Xu, J; Yu, J; Zhang, N, 2023)	3.07
"Roflumilast is a selective phosphodiesterase-4 (PDE4) inhibitor with anti-inflammatory properties in severe COPD patients who have a history of exacerbations."	( Glucocorticoid Receptor α Mediates Roflumilast's Ability to Restore Dexamethasone Sensitivity in COPD. Banno, A; Lakshmi, SP; Reddy, AT; Reddy, RC, 2020)	1.56
"Roflumilast is an inhibitor of phosphodiesterase-4 (PDE4) and can suppress the hydrolysis of cAMP in inflammatory cells, conferring anti-inflammatory effects. "	( Roflumilast, a phosphodiesterase-4 inhibitor, improves hyperoxia-induced lung injury via anti-inflammation. Cao, HY; Han, CH; Liu, WW; Tang, P; Yu, TH; Zhang, PX, )	3.02
"Roflumilast is a selective inhibitor of phosphodiesterase 4 with potent anti-inflammatory properties."	( Inhibition of phosphodiesterase IV enzyme improves locomotor and sensory complications of spinal cord injury via altering microglial activity: Introduction of Roflumilast as an alternative therapy. Afshari, K; Ashraf-Ganjouei, A; Badripour, A; Bagheri, S; Dehpour, AR; Etemadi, A; Faghani, S; Golbakhsh, M; Haghighi, F; Khavandi, MM; Moradi, K; Nikbakhsh, R, 2020)	1.48
"Roflumilast is a novel, potent, selective, and long-acting phosphodiesterase 4 (PDE-4) inhibitor for the treatment of bronchial asthma and COPD."	( Electrochemical Behavior and Square-Wave Stripping Voltammetric Determination of Roflumilast in Pharmaceutical Dosage Forms. Altınöz, S; Çelebier, M; Dogan, A; Süslü, İ, 2021)	1.57
"Roflumilast is a selective PDE4 inhibitor used for treating chronic obstructive pulmonary disease (COPD) and exerts significant anti-inflammation effects."	( Roflumilast prevents lymphotoxin α (TNF-β)-induced inflammation activation and degradation of type 2 collagen in chondrocytes. Duan, L; Jiang, J; Liu, Y; Wang, R; Zhao, J, 2020)	2.72
"Roflumilast is an oral, add-on option for treating patients with severe COPD and frequent exacerbations despite optimal therapy with inhaled drugs. "	( Clinical relevance of the relaxant effects of roflumilast on human bronchus: potentiation by a long-acting beta-2-agonist. Brollo, M; Devillier, P; Grassin-Delyle, S; Naline, E; Salvator, H; Tenor, H, 2021)	2.32
"Roflumilast is a selective PDE4 inhibitor that inhibits pulmonary and systemic inflammation and rallies symptoms in airway diseases."	( Current insights on clinical efficacy of roflumilast for treatment of COPD, asthma and ACOS. Bodkhe, S; Khan, T; Nikam, M; Patel, K; Sherje, AP; Suvarna, V, 2020)	1.55
"Roflumilast (Roflu) is an FDA-approved PDE4 inhibitor for the treatment of chronic obstructive pulmonary disease."	( Roflumilast prevents ischemic stroke-induced neuronal damage by restricting GSK3β-mediated oxidative stress and IRE1α/TRAF2/JNK pathway. Cai, N; Li, M; Li, X; Liu, L; Qin, Y; Wang, H; Xu, B; Xu, J, 2021)	2.79
"Roflumilast is a selective PDE4 inhibitor, used for the treatment of severe chronic obstructive pulmonary disease in clinic."	( Roflumilast reverses polymicrobial sepsis-induced liver damage by inhibiting inflammation in mice. Chen, J; Cheng, Y; Feng, H; Wang, H; Xu, J; Zhong, Q; Zou, Z, 2017)	2.62
"Roflumilast is a selective inhibitor of phosphodiesterase-4 isoenzyme in lung cells. "	( Design and characterization of emulsified spray dried alginate microparticles as a carrier for the dually acting drug roflumilast. Abdelkhalek, AA; Elkasabgy, NA; Mahmoud, AA, 2018)	2.13
"Roflumilast is a cost-effective treatment option for patients with severe or very severe COPD, chronic bronchitis, and a history of exacerbations. "	( Cost-effectiveness of roflumilast as an add-on to triple inhaled therapy vs triple inhaled therapy in patients with severe and very severe COPD associated with chronic bronchitis in the UK. Davies, A; Gibson, D; Kiff, C; Purkayastha, D; Ruiz, S; Varol, N, 2018)	2.24
"Roflumilast is an anti-inflammatory compound used in patients with advanced COPD and chronic bronchitis in order to fulfill this objective."	( Roflumilast in patients with advanced chronic obstructive pulmonary disease: towards a better-targeted use. Alexa, I; Alexa-Stratulat, T; Antohe, I; Antoniu, S; Arghir, O; Grigorescu, C, 2019)	2.68
"Roflumilast is an add-on option for patients with severe COPD."	( Chronic obstructive pulmonary disease--a treatable disease. Jenkins, C; Leuppi, J; Osthoff, M, 2013)	1.11
"Roflumilast is a recently marketed drug, indicated for maintenance treatment of severe chronic obstructive pulmonary disease associated with chronic bronchitis in adult patients with a history of frequent exacerbations as add on to bronchodilator treatment."	( [Intractable diarrhoea and severe weight loss by roflumilast]. Horna, O; Toyas, C, 2013)	2.09
"Roflumilast is a clinically approved phosphodiesterase 4 inhibitor that improves lung function in patients with chronic bronchitis."	( Cystic fibrosis transmembrane conductance regulator activation by roflumilast contributes to therapeutic benefit in chronic bronchitis. Bolger, GB; Coricor, GE; Courville, CA; Dransfield, MT; Farris, RF; Lambert, JA; Li, Y; Mazur, MM; McNicholas, CM; Raju, SV; Rowe, SM; Smoot, LH; Tang, LP, 2014)	1.36
"Roflumilast is a safe and effective option for controlling COPD exacerbations in a defined subset of patients for whom the available treatment alternatives are very limited."	( Roflumilast in the management of chronic obstructive pulmonary disease. Benipal, H; Kale-Pradhan, P; Lipari, M, 2013)	3.28
"Roflumilast is a phosphodiesterase 4 inhibitor that may improve lung function and reduce the frequency of exacerbations in patients with COPD."	( Roflumilast combined with adenosine increases mucosal hydration in human airway epithelial cultures after cigarette smoke exposure. Freire, J; Qian, X; Tarran, R; Tyrrell, J, 2015)	2.58
"Roflumilast is an oral phosphodiesterase-4 inhibitor that targets inflammatory cells involved in triggering exacerbations of COPD."	( Roflumilast, a phosphodiesterase-4 inhibitor, induces phagocytic activity in Greek COPD patients. Domvri, K; Hatzizisi, O; Kikidaki, V; Kioumis, I; Lampaki, S; Liaka, A; Organtzis, J; Papaioannou, A; Petridis, D; Porpodis, K; Tsirgogianni, K; Zarogoulidis, K; Zarogoulidis, P, 2015)	2.58
"Roflumilast is a therapeutic agent in the treatment of chronic obstructive pulmonary disease (COPD). "	( A Randomized, Placebo-controlled Trial of Roflumilast. Effect on Proline-Glycine-Proline and Neutrophilic Inflammation in Chronic Obstructive Pulmonary Disease. Bailey, WC; Bhatt, SP; Blalock, JE; Dransfield, MT; Gaggar, A; Gautney, J; Handley, G; Jackson, PL; King, RW; Viera, L; Wells, JM; Xu, X, 2015)	2.12
"Roflumilast is an effective treatment in patients with moderate to severe COPD; it improves lung function and is generally associated with a lower risk of exacerbation, particularly in patients with more severe disease and/or chronic bronchitis, cough and sputum."	( Roflumilast: A Review in COPD. Garnock-Jones, KP, 2015)	2.58
"Roflumilast is a selective phosphodiesterase type-4 (PDE4) inhibitor approved for treatment of severe COPD."	( Roflumilast inhibits leukocyte-platelet interactions and prevents the prothrombotic functions of polymorphonuclear leukocytes and monocytes. Amore, C; Beume, R; Dell'Elba, G; Di Santo, A; Evangelista, V; Martelli, N; Piccoli, A; Tenor, H; Totani, L, 2016)	2.6
"Roflumilast is a selective phosphodiesterase-4 inhibitor that has an anti-inflammatory effect in chronic obstructive pulmonary disease (COPD)."	( Effect of roflumilast on airway remodelling in a murine model of chronic asthma. Kim, JH; Kim, SW; Kim, TJ; Kim, YK; Kwon, SS; Lee, SY; Park, CK; Rhee, CK; Yoon, HK, 2016)	1.56
"Roflumilast is a potent and selective inhibitor of the enzyme phosphodiesterase-4 that targets the systemic inflammation associated with COPD."	( Roflumilast: a review of its use in the treatment of COPD. Calverley, PM; Rabe, KF; Wedzicha, JA, 2016)	2.6
"Roflumilast is a cyclic nucleotide phosphodiesterase inhibitor that is FDA-approved for treatment of chronic obstructive pulmonary disease. "	( Roflumilast and aquaporin-2 regulation in rat renal inner medullary collecting duct. Chou, CL; Knepper, MA; Umejiego, EN; Wang, Y, 2017)	3.34
"Roflumilast is an orally administered phosphodiesterase 4 inhibitor that has potential for use in pediatric patients with asthma. "	( Single-dose pharmacokinetics of roflumilast in children and adolescents. Abdel-Rahman, SM; Bethke, TD; Gleason, MC; Herzog, R; Kearns, GL; Lahu, G; Neville, KA; Szefler, SJ; Zech, K, 2008)	2.07
"Roflumilast is an oral, once-daily phosphodiesterase 4 (PDE4) inhibitor, being developed for the treatment of chronic obstructive pulmonary disease."	( Effects of rifampicin on the pharmacokinetics of roflumilast and roflumilast N-oxide in healthy subjects. Duffy, K; Hermann, R; Herzog, R; Huennemeyer, A; Koch, M; Lahu, G; Nassr, N; von Richter, O; Zech, K, 2009)	1.33
"Roflumilast is an oral phosphodiesterase 4 (PDE4) inhibitor for the treatment of chronic obstructive pulmonary disease (COPD). "	( Effect of steady-state enoxacin on single-dose pharmacokinetics of roflumilast and roflumilast N-oxide. Elmlinger, M; Herzog, R; Hinder, M; Huennemeyer, A; Lahu, G; Nassr, N; Ruth, P, 2011)	2.05
"Roflumilast is a new phosphodiesterase 4 inhibitor that has recently completed Phase III trials for the treatment of chronic obstructive pulmonary disease (COPD). "	( Roflumilast for the treatment of chronic obstructive pulmonary disease. Rabe, KF, 2010)	3.25
"Roflumilast is an orally administered, selective phosphodiesterase 4 inhibitor that is a novel treatment for patients with severe chronic obstructive pulmonary disease (COPD). "	( Roflumilast: in chronic obstructive pulmonary disease. Sanford, M, 2010)	3.25
"Roflumilast is an oral, selective phosphodiesterase (PDE)-4 inhibitor in development for the treatment of chronic obstructive pulmonary disease (COPD). "	( Population pharmacokinetic modelling of roflumilast and roflumilast N-oxide by total phosphodiesterase-4 inhibitory activity and development of a population pharmacodynamic-adverse event model. Diletti, E; Elmlinger, M; Facius, A; Hünnemeyer, A; Lahu, G; McCracken, N; Ruth, P; Zech, K, 2010)	2.07
"Roflumilast is a selective once daily, oral phosphodiesterase-4 inhibitor that has recently been registered in all European Union countries as novel targeted therapy for COPD, while FDA approval for the USA market is expected in 2011. "	( PDE4-inhibitors: a novel, targeted therapy for obstructive airways disease. Diamant, Z; Spina, D, 2011)	1.81
"Roflumilast is an anti-inflammatory drug belonging to the novel therapeutic class of phosphodiesterase-4 inhibitors and is the first drug to be developed for the treatment of a specific COPD phenotype (COPD associated with chronic bronchitis)."	( [Clinical profile of roflumilast]. Izquierdo Alonso, JL, 2010)	1.4
"Roflumilast is a new anti-inflammatory drug for the treatment of COPD. "	( [Pulmonary medicine. Two new drugs for the treatment of COPD]. Rochat, T, 2011)	1.81
"Roflumilast is a drug belonging to the new therapeutic class of phosphyldiesterase-4 (PDE4) inhibitors and can be considered the first drug to be developed for a specific COPD phenotype (COPD associated with chronic bronchitis)."	( [Phosphodiesterase-4 inhibitors: roflumilast]. Izquierdo Alonso, JL, 2011)	1.37
"Roflumilast is a novel, orally active, selective phosphodiesterase 4 inhibitor recently approved for the treatment of severe COPD. "	( Lack of pharmacokinetic and pharmacodynamic interactions of roflumilast with (R, S)-warfarin in healthy adult subjects. Bethke, TD; Lahu, G; McCracken, N, 2011)	2.05
"Roflumilast is an oral, selective phosphodiesterase 4 inhibitor with anti-inflammatory effects in chronic obstructive pulmonary disease (COPD). "	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	2.05
"Roflumilast is a novel, orally active, selective phosphodiesterase 4 inhibitor recently approved in the European Union for the treatment of severe COPD. "	( Influence of renal impairment on the pharmacokinetics of oral roflumilast: an open-label, parallel-group, single-center study. Bethke, TD; Gleiter, CH; Hartmann, M; Hünnemeyer, A; Lahu, G, 2011)	2.05
"Roflumilast is a new drug with innovative pharmacodynamic properties for use in patients with chronic obstructive pulmonary disease (COPD). "	( [Phosphodiesterase-4 inhibitors: a new target in treatment of COPD]. Erdmann, E; Michels, G; Pfister, R, 2011)	1.81
"Roflumilast is a potent and targeted PDE4 inhibitor."	( Roflumilast attenuates allergen-induced inflammation in mild asthmatic subjects. Boulet, LP; Bredenbröker, D; Côté, J; Deschesnes, F; Duong, M; Gauvreau, GM; Killian, KJ; Milot, J; O'Byrne, PM; Schmid-Wirlitsch, C; Strinich, T; Watson, RM, 2011)	2.53
"Roflumilast is a selective PDE4 inhibitor recently approved for oral, once-daily treatment of severe chronic obstructive pulmonary disease (COPD). "	( Pharmacokinetic evaluation of roflumilast. Hünnemeyer, A; Lahu, G; Nassr, N, 2011)	2.1
"Roflumilast is a newly approved phosphodiesterase-4 inhibitor for the treatment of severe chronic obstructive pulmonary disease (COPD) associated with chronic bronchitis and a history of exacerbations."	( Roflumilast: a phosphodiesterase-4 inhibitor for the treatment of severe chronic obstructive pulmonary disease. Hamilton, LA; Hughes, A; Pinner, NA, 2012)	3.26
"Roflumilast is a promising new agent in the treatment of COPD; however, additional studies comparing roflumilast with inhaled corticosteroids plus long-acting bronchodilators are needed."	( Clinical Considerations for Roflumilast: A New Treatment for COPD. Kelly Freeman, ML, 2012)	1.39
"Roflumilast is a selective phosphodiesterase 4 inhibitor which has been licensed in the European Union since 2010 and in Switzerland since November 2011 as an add-on treatment for patients with chronic obstructive pulmonary disease (COPD) in GOLD (Global Initiative for Chronic Obstructive Lung Disease) stages 3 and 4 (FEV(1) <50% predicted after bronchodilatation) and frequent exacerbations despite correctly-dosed therapy with a long-acting bronchodilator. "	( Roflumilast--a phosphodiesterase-4 inhibitor licensed for add-on therapy in severe COPD. Kullak-Ublick, GA; Leuppi, JD; Taegtmeyer, AB, 2012)	3.26
"Roflumilast is a recently approved therapeutic option that primarily diminishes exacerbation frequency in patients with chronic bronchitis and severe airflow obstruction (FEV(1) < 50%)."	( [Chronic obstructive pulmonary disease : new pharmacotherapeutic options]. Greulich, T; Koczulla, AR; Vogelmeier, C, 2012)	1.1
"Roflumilast is a specific PDE4 inhibitor being developed by Altana Pharma (formerly known as Byk Gulden) for the potential treatment of asthma and chronic obstructive pulmonary disease [312928]."	( Roflumilast Altana Pharma. Reid, P, 2002)	3.2
"Roflumilast is an oral, once-daily inhibitor of phosphodiesterase type 4 that prevents the breakdown of cyclic adenosine monophosphate levels, leading to inhibition of proinflammatory signaling."	( Roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor, attenuates allergen-induced asthmatic reactions. Bardin, PG; Bredenbröker, D; Leichtl, S; Schmid-Wirlitsch, C; Strydom, K; van Schalkwyk, E; Venter, L; Williams, Z, 2005)	2.49
"Roflumilast is a promising candidate for anti-inflammatory COPD treatment because it improved lung function and reduced exacerbations compared with placebo. "	( Roflumilast--an oral anti-inflammatory treatment for chronic obstructive pulmonary disease: a randomised controlled trial. Bateman, ED; Bethke, TD; Bredenbröker, D; O'Donnell, D; Rabe, KF; Witte, S, )	3.02
"Roflumilast is an oral, once-daily phosphodiesterase 4 (PDE4) inhibitor with anti-inflammatory activity. "	( Inhibition of airway hyperresponsiveness and pulmonary inflammation by roflumilast and other PDE4 inhibitors. Beume, R; Bundschuh, DS; Marx, D; Wohlsen, A; Wollin, L, 2006)	2.01
"Roflumilast is an oral, once-daily phosphodiesterase 4 inhibitor with anti-inflammatory activity in development for the treatment of asthma. "	( Comparison of roflumilast, an oral anti-inflammatory, with beclomethasone dipropionate in the treatment of persistent asthma. Adler, LM; Albrecht, A; Aubier, M; Bousquet, J; Bredenbröker, D; Harnest, U; Hofbauer, P; Izquierdo, JL; Kroemer, B; Rost, KD; Sastre, J, 2006)	2.14
"Roflumilast is a selective phosphodiesterase (PDE) 4 inhibitor with a range of anti-inflammatory properties and potential for treatment of inflammatory disease. "	( Roflumilast: a selective phosphodiesterase 4 inhibitor. Christie, P, 2005)	3.21
"Roflumilast is an oral, once-daily phosphodiesterase type 4 inhibitor with anti-inflammatory activity in preclinical models of asthma and chronic obstructive pulmonary disease."	( Efficacy and safety of roflumilast in the treatment of asthma. Bateman, ED; Bredenbröker, D; Harnest, U; Hofbauer, P; Izquierdo, JL; Leichtl, S; Magyar, P; Schmid-Wirlitsch, C, 2006)	1.37
"Roflumilast is a phosphodiesterase-4 (PDE-4) inhibitor which, due to its selective inhibition of the PDE 4 isoenzyme, has potential antiinflammatory and antimodulatory effects in the pulmonary system. "	( The potential role of roflumilast: the new phosphodiesterase-4 inhibitor. Gagnon, JM; Karish, SB, 2006)	2.09
"Roflumilast is an oral, once-daily phosphodiesterase 4 inhibitor under investigation for the treatment of chronic obstructive pulmonary disease and asthma. "	( Roflumilast, a once-daily oral phosphodiesterase 4 inhibitor, lacks relevant pharmacokinetic interactions with inhaled salbutamol when co-administered in healthy subjects. Bethke, TD; David, M; Giessmann, T; Hauns, B; Hauschke, D; Hermann, R; Lahu, G; Siegmund, W; Weinbrenner, A; Westphal, K; Zech, K, 2006)	3.22
"Roflumilast is a targeted oral once-daily administered phosphodiesterase 4 (PDE4) inhibitor with clinical efficacy in chronic obstructive pulmonary disease (COPD). "	( Reduction in sputum neutrophil and eosinophil numbers by the PDE4 inhibitor roflumilast in patients with COPD. Bethke, TD; Bredenbröker, D; Gauw, SA; Grootendorst, DC; Hiemstra, PS; Hospers, JJ; Rabe, KF; Sterk, PJ; Verhoosel, RM, 2007)	2.01
"Roflumilast is an oral, once-daily phosphodiesterase IV (PDE4) inhibitor under investigation for chronic obstructive pulmonary disease (COPD). "	( A 1-year prospective cost-effectiveness analysis of roflumilast for the treatment of patients with severe chronic obstructive pulmonary disease. Caeser, M; Calverley, PM; Lindemann, M; Rutten-van Mölken, MP; van Nooten, FE, 2007)	2.03
"Roflumilast is a selective phosphodiesterase-4 inhibitor with a broad range of anti-inflammatory actions. "	( Roflumilast: an oral, once-daily selective PDE-4 inhibitor for the management of COPD and asthma. Field, SK, 2008)	3.23
"Roflumilast is a new phosphodiesterase 4 (PDE4) inhibitor developed by Byk Gulden Pharmaceuticals for the treatment of chronic obstructive pulmonary disease and asthma. "	( The new phosphodiesterase 4 inhibitor roflumilast is efficacious in exercise-induced asthma and leads to suppression of LPS-stimulated TNF-alpha ex vivo. Bethke, T; Birraux, G; Hatzelmann, A; Leclerc, V; Neuhäuser, M; Timmer, W; Wurst, W, 2002)	2.03

Effects

Roflumilast has a variety of anti-inflammatory effects including decreasing inflammatory mediators and the expression of cell surface markers. The main adverse effects are nausea, diarrhoea, and abdominal pain.

Roflumilast has potential as first-line long-term therapy in mild-to-moderate COPD. It has a better safety and tolerability profile than cilomilast. The main adverse effects are nausea, diarrhoea, and abdominal pain.

Excerpt	Reference	Relevance
"Roflumilast has a suggested ability to mitigate glucocorticoid resistance, but the mechanism is unknown."	( Glucocorticoid Receptor α Mediates Roflumilast's Ability to Restore Dexamethasone Sensitivity in COPD. Banno, A; Lakshmi, SP; Reddy, AT; Reddy, RC, 2020)	1.56
"Roflumilast has a variety of anti-inflammatory effects including decreasing inflammatory mediators and the expression of cell surface markers and inhibition of apoptosis."	( Roflumilast: a review of its use in the treatment of COPD. Calverley, PM; Rabe, KF; Wedzicha, JA, 2016)	2.6
"Roflumilast has a better safety and tolerability profile than cilomilast, with the main adverse effects being nausea, diarrhoea, and abdominal pain."	( Phosphodiesterase-4 inhibitors for asthma and chronic obstructive pulmonary disease. Lipworth, BJ, )	0.85
"Roflumilast has shown an anti-neuroinflammatory effect and reversed the cognitive decline in LPS-induced mice model."	( Roflumilast Protects against Neuroinflammatory Alterations in Brain Tissues of Lipopolysaccharide-induced Mice Model. Akhtar, MZ; Dey, M; Gautam, AS; Kumari, N; Nanda, A; Pandey, SK; Singh, RK; Tiwari, A, 2023)	3.8
"Roflumilast has a suggested ability to mitigate glucocorticoid resistance, but the mechanism is unknown."	( Glucocorticoid Receptor α Mediates Roflumilast's Ability to Restore Dexamethasone Sensitivity in COPD. Banno, A; Lakshmi, SP; Reddy, AT; Reddy, RC, 2020)	1.56
"Roflumilast (1 µM) alone has no impact on viability and apoptosis of hippocampal neurons."	( Phosphodiesterase 4 Inhibitor Roflumilast Protects Rat Hippocampal Neurons from Sevoflurane Induced Injury via Modulation of MEK/ERK Signaling Pathway. Liu, CL; Liu, PR; Liu, Q; Peng, S; Shi, XW; Yan, HZ; Zhang, Y, 2018)	1.49
"Roflumilast has a variety of anti-inflammatory effects including decreasing inflammatory mediators and the expression of cell surface markers and inhibition of apoptosis."	( Roflumilast: a review of its use in the treatment of COPD. Calverley, PM; Rabe, KF; Wedzicha, JA, 2016)	2.6
"Roflumilast has anti-inflammatory properties that may interfere with potentially important host defense functions, including cytotoxic properties of neutrophils at sites of inflammation."	( Roflumilast Increases Bacterial Load and Dissemination in a Model of Pseudomononas Aeruginosa Airway Infection. Bhongir, RK; Egesten, A; Kasetty, G; Papareddy, P, 2016)	2.6
"Roflumilast has anti-inflammatory effects and has been used in the treatment of inflammatory airway diseases."	( Effect of roflumilast, novel phosphodiesterase-4 inhibitor, on lung chronic graft-versus-host disease in mice. Cho, CS; Kim, JH; Kim, SW; Kim, TJ; Lim, JY; Min, CK; Park, CK; Rhee, CK; Yoon, HK, 2016)	1.56
"Roflumilast has been shown to be a potent anti-inflammatory and antioxidant agent."	( The effects of roflumilast on the pancreas and remote organs in a cerulein-induced experimental acute pancreatitis model in rats. Gumus, M; Ibiloglu, I; Kapan, M; Kaplan, I; Turkoglu, A; Uslukaya, O; Yazgan, UC, 2016)	1.51
"Roflumilast has been shown to be generally well tolerated."	( Roflumilast for COPD. Aparicio, J; Izquierdo, JL, 2010)	2.52
"Roflumilast evidently has several pharmacological effects: antiinflammatory, anti-emphysema, and antibiotic actions."	( [Pharmacological profile of roflumilast]. Cortijo Gimeno, J; Morcillo Sánchez, E, 2010)	1.38
"Roflumilast has novel anti-inflammatory activity in COPD that provides the physician with a treatment option beyond bronchodilation. "	( Pharmacokinetic evaluation of roflumilast. Hünnemeyer, A; Lahu, G; Nassr, N, 2011)	2.1
"Roflumilast has not been compared with an inhaled corticosteroid."	( Roflumilast: doubtful efficacy but clear harms in COPD. , 2013)	2.55
"Roflumilast has potential as first-line long-term therapy in mild-to-moderate COPD and as additive long-term therapy in moderate-to-severe COPD."	( Roflumilast: APTA 2217, B9302-107, BY 217, BYK 20869. , 2004)	2.49
"Roflumilast has a better safety and tolerability profile than cilomilast, with the main adverse effects being nausea, diarrhoea, and abdominal pain."	( Phosphodiesterase-4 inhibitors for asthma and chronic obstructive pulmonary disease. Lipworth, BJ, )	0.85
"Roflumilast has the potential to be cost saving in patients with very severe COPD, due to a statistically significant reduction of exacerbations."	( A 1-year prospective cost-effectiveness analysis of roflumilast for the treatment of patients with severe chronic obstructive pulmonary disease. Caeser, M; Calverley, PM; Lindemann, M; Rutten-van Mölken, MP; van Nooten, FE, 2007)	1.31

Actions

Roflumilast did not inhibit serotonin-induced bronchoconstriction 4.5h after administration, suggesting that inhibition of AHR by roflumilasts results from anti-inflammatory, not bronchodilatory, effects. Roflomilast plays an important role in lung function improvement and is well tolerated in an Asian population.

Excerpt	Reference	Relevance
"Roflumilast plays an important role in lung function improvement and is well tolerated in an Asian population. "	( Roflumilast for the treatment of COPD in an Asian population: a randomized, double-blind, parallel-group study. Bai, C; Brose, M; Chen, P; Goehring, UM; Hui, F; Kang, J; Li, H; Richard, F; Wang, H; Yang, J; Zhao, L; Zheng, J; Zhong, N; Zhou, X, 2014)	3.29
"Roflumilast did not inhibit serotonin-induced bronchoconstriction 4.5h after administration, suggesting that inhibition of AHR by roflumilast results from anti-inflammatory, not bronchodilatory, effects."	( Inhibition of airway hyperresponsiveness and pulmonary inflammation by roflumilast and other PDE4 inhibitors. Beume, R; Bundschuh, DS; Marx, D; Wohlsen, A; Wollin, L, 2006)	1.29

Treatment

Roflumilast treatment (0.5 mg/kg, p.o) was given daily after the fifth rotenone injection. Patients treated had significantly greater improvements than vehicle-treated patients in WI-NRS and PSD Items 1 and 2 beginning at Week 2 and in itch-related sleep loss Weeks 6 through 12.

Excerpt	Reference	Relevance
"Roflumilast-treated patients had significantly greater improvements than vehicle-treated patients in WI-NRS and PSD Items 1 and 2 beginning at Week 2 and in itch-related sleep loss Weeks 6 through 12. "	( Effect of Roflumilast Cream (ARQ-151) on Itch and Itch-Related Sleep Loss in Adults with Chronic Plaque Psoriasis: Patient-Reported Itch Outcomes of a Phase 2b Trial. Alonso-Llamazares, J; Berk, DR; Draelos, ZD; Feng, A; Gooderham, MJ; Higham, RC; Kempers, SE; Kircik, LH; Lebwohl, MG; Papp, KA; Pariser, DM; Stein Gold, L; Toth, DP; Yosipovitch, G, 2023)	2.76
"Roflumilast treatment (0.5 mg/kg, p.o) was given daily after the fifth rotenone injection."	( p-CREB and p-DARPP-32 orchestrating the modulatory role of cAMP/PKA signaling pathway enhanced by Roflumilast in rotenone-induced Parkinson's disease in rats. Essam, RM; Kandil, EA, 2023)	1.85
"Roflumilast-treated patients had statistically significantly higher rates of IGA success vs vehicle at week 2, the first time point assessed."	( Efficacy of Roflumilast Foam, 0.3%, in Patients With Seborrheic Dermatitis: A Double-blind, Vehicle-Controlled Phase 2a Randomized Clinical Trial. Alonso-Llamazares, J; Berk, DR; Bruce, S; Bukhalo, M; Burnett, P; Draelos, ZD; DuBois, J; Eads, K; Ferris, LK; Forman, SB; Green, LJ; Guenthner, ST; Higham, RC; Kempers, SE; Kircik, LH; Krupa, D; Lain, E; Lynde, CW; Moore, AY; Pariser, DM; Stein Gold, L; Toth, DP; Yamauchi, PS; Zirwas, MJ, 2023)	2.01
"Roflumilast treatment was shown to down-regulate the gene expressions of TNF-α (2.1-fold), NF-kB (2.3-fold), MCP-1 (2.5-fold), fibronectin (2.7-fold), collagen IV (2.7-fold), STAT 1(1.06-fold), and STAT 3 (1.20-fold) and upregulated the expression of the Nrf2 (1.43-fold) gene."	( Roflumilast ameliorates diabetic nephropathy in rats through down-regulation of JAK/STAT signaling pathway. Chudasama, P; Patel, P; Patel, S; Raval, M; Soni, S, 2023)	3.07
"Roflumilast treatment during 7 days of forced abstinence did not affect sucrose seeking and sucrose taking behaviors."	( Roflumilast treatment during forced abstinence reduces relapse to methamphetamine seeking and taking. Baek, JJ; Deveau, CM; Kline, H; Yamamoto, BK, 2022)	2.89
"Roflumilast treatment (1nM delivered 6h post-injury) significantly increased total AMPA glutamate receptor 1 (GluR1) subunit expression, phosphorylation of the GluR1 subunit at the serine-831 site, and phosphorylation of stargazin at the serine-239/240 site upon LTP induction, measured 24h following injury."	( Phosphodiesterase-4 inhibition restored hippocampal long term potentiation after primary blast. Bass, CR; Meaney, DF; Morales, FN; Morrison, B; Vogel, EW, 2017)	1.18
"Roflumilast treatment resulted in dose-dependent improvements of clinical score (weight loss, stool consistency and bleeding), colon length, and local tumor necrosis factor-α (TNFα) production in the colonic tissue. "	( The selective phosphodiesterase 4 inhibitor roflumilast and phosphodiesterase 3/4 inhibitor pumafentrine reduce clinical score and TNF expression in experimental colitis in mice. Bundschuh, DS; Eigler, A; Endres, S; Lehr, HA; Rieder, F; Siegmund, B, 2013)	2.09
"Roflumilast-treated animals displayed higher vasodilation to acetylcholine and SNP versus controls (p < .05)."	( Roflumilast-induced Local Vascular Injury Is Associated with a Coordinated Proteome and Microparticle Change in the Systemic Circulation in Pigs. Badimon, L; Bendjama, K; Casaní, L; Crespo, J; Cubedo, J; Juan-Babot, O; Lawton, M; Padró, T; Vilahur, G, 2015)	2.58
"Roflumilast treatment decreased sputum AcPGP by more than 50% (P < 0.01) and prolyl endopeptidase by 46% (P = 0.02), without significant improvement in leukotriene A4 hydrolase activity compared with placebo."	( A Randomized, Placebo-controlled Trial of Roflumilast. Effect on Proline-Glycine-Proline and Neutrophilic Inflammation in Chronic Obstructive Pulmonary Disease. Bailey, WC; Bhatt, SP; Blalock, JE; Dransfield, MT; Gaggar, A; Gautney, J; Handley, G; Jackson, PL; King, RW; Viera, L; Wells, JM; Xu, X, 2015)	1.4
"Roflumilast treatment was associated with progressive improvement of airway function but not lung hyperinflation."	( Physiological effects of roflumilast at rest and during exercise in COPD. Bredenbröker, D; Brose, M; O'Donnell, DE; Webb, KA, 2012)	1.4
"Roflumilast treatment significantly reduced TNF-α secretion ex vivo in both species, with comparable half maximal inhibitory concentration (IC(50))."	( LPS-induced lung inflammation in marmoset monkeys - an acute model for anti-inflammatory drug testing. Bleyer, M; Braun, A; Fieguth, HG; Förster, C; Fuchs, E; Hohlfeld, JM; Kaup, FJ; Knauf, S; Lauenstein, HD; Neuhaus, V; Pfennig, O; Schlumbohm, C; Seehase, S; Sewald, K; Switalla, S, 2012)	1.1
"Oral treatment with roflumilast in rats fed an HFD restores normal bladder function and downregulates expression of inflammatory factors in the bladder."	( Treatment of obesity-associated overactive bladder by the phosphodiesterase type-4 inhibitor roflumilast. Ding, H; Dong, L; He, X; Li, N; Liu, B; Liu, Y, 2017)	1
"Treatment with roflumilast reduced leak of cells (P<0.01), particularly of neutrophils (P<0.001), into the lung, decreased lung edema formation (P<0.01), and improved respiratory parameters."	( Effects of roflumilast, a phosphodiesterase-4 inhibitor, on the lung functions in a saline lavage-induced model of acute lung injury. Calkovska, A; Kolomaznik, M; Kosutova, P; Mikolka, P; Mokra, D; Rezakova, S, 2017)	1.18
"Oral treatment with roflumilast in diabetic rats improves bladder function and inhibits the expression of inflammatory factors in DSM tissue, indicating that PDE4 is a potential therapeutic target for DBD."	( The phosphodiesterase type 4 inhibitor roflumilast suppresses inflammation to improve diabetic bladder dysfunction rats. Ding, H; Li, N; Liu, Y; Wang, P; Zhang, P, 2019)	1.11
"Treatment with roflumilast reduced leak of cells, particularly of neutrophils, into the lung, decreased concentrations of cytokines and oxidative products in the lung and plasma, and reduced lung cell apoptosis and edema formation."	( Reduction of lung inflammation, oxidative stress and apoptosis by the PDE4 inhibitor roflumilast in experimental model of acute lung injury. Adamkov, M; Balentova, S; Calkovska, A; Kolomaznik, M; Kosutova, P; Mikolka, P; Mokra, D, 2018)	1.04
"Treatment with Roflumilast for 5 days did not have a significant effect on sputum composition."	( Low-dose endotoxin inhalation in healthy volunteers--a challenge model for early clinical drug development. Biller, H; Hohlfeld, JM; Holz, O; Janssen, O; Krug, N; Lavae-Mokhtari, B; Schaumann, F; Welker, L; Winkler, C, 2013)	0.73
"Treatment with roflumilast (0.5 or 1.5 mg x kg(-1) day(-1)) from day 1 to day 21 after monocrotaline (MCT) injection (60 mg x kg(-1) s.c.) attenuated PH development: pulmonary artery pressure, right ventricular hypertrophy, and muscularization of distal vessels on day 21 were decreased compared to control MCT-treated rats."	( Effects of roflumilast, a phosphodiesterase-4 inhibitor, on hypoxia- and monocrotaline-induced pulmonary hypertension in rats. Adnot, S; Eddahibi, S; Hatzelmann, A; Izikki, M; Klar, J; Marx, D; Raffestin, B; Tenor, H; Zadigue, P, 2009)	1.08
"Treatment with roflumilast significantly reversed CS-induced downward trend of CCSP in BAL fluid."	( Roflumilast increases Clara cell secretory protein in cigarette smoke-exposed mice. Bosch, DG; Case, SR; Chu, HW; Ge, XN; Martin, RJ; Minor, MN, 2009)	2.14
"Treatment with roflumilast shifts patients from the frequent to the more stable infrequent exacerbator state."	( Efficacy of roflumilast in the COPD frequent exacerbator phenotype. Bredenbröker, D; Brose, M; Calverley, PMA; Goehring, UM; Martinez, FJ; Rabe, KF; Wedzicha, JA, 2013)	1.12
"Treatment with roflumilast is estimated to reduce the health and economic burden of COPD exacerbations and represent a cost-effective treatment option for patients with frequent exacerbations in Switzerland."	( Cost-effectiveness of roflumilast in combination with bronchodilator therapies in patients with severe and very severe COPD in Switzerland. Haefliger, S; Ledderhose, S; Radford, M; Samyshkin, Y; Schlunegger, M, 2013)	1.06
"Treatment with roflumilast reduced expression of IL-17A, TNF-alpha, granulocyte-macrophage colony-stimulating factor and IL-6, but did not inhibit other cytokines."	( Suppression of cytokine expression by roflumilast and dexamethasone in a model of chronic asthma. Foster, PS; Herbert, C; Hettiaratchi, A; Kumar, RK; Thomas, PS; Webb, DC, 2008)	0.96
"Treatment with roflumilast was safe and well tolerated."	( The new phosphodiesterase 4 inhibitor roflumilast is efficacious in exercise-induced asthma and leads to suppression of LPS-stimulated TNF-alpha ex vivo. Bethke, T; Birraux, G; Hatzelmann, A; Leclerc, V; Neuhäuser, M; Timmer, W; Wurst, W, 2002)	0.93

Toxicity

Roflumilast, a phosphodiesterase 4 inhibitor, has been shown to improve lung function and reduce exacerbation rates, but is associated with adverse events (AEs) Roflomilast increased some adverse events including diarrhea, headache.

Excerpt	Reference	Relevance
" Most adverse events were mild to moderate in intensity and transient."	( Efficacy and safety of roflumilast in the treatment of asthma. Bateman, ED; Bredenbröker, D; Harnest, U; Hofbauer, P; Izquierdo, JL; Leichtl, S; Magyar, P; Schmid-Wirlitsch, C, 2006)	0.64
" These allosteric modulators have reduced potential to cause emesis, a dose-limiting side effect of existing active site-directed PDE4 inhibitors, while maintaining biological activity in cellular and in vivo models."	( Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Bjornsson, JM; Burgin, AB; Gurney, ME; Hagen, T; Hrafnsdottir, S; Kiselyov, AS; Magnusson, OT; Singh, J; Staker, BL; Stewart, LJ; Thorsteinsdottir, M; Witte, P, 2010)	0.36
"To model the pharmacokinetics of roflumilast and roflumilast N-oxide, evaluate the influence of potential covariates, use the total PDE4 inhibitory activity (tPDE4i) concept to estimate the combined inhibition of PDE4 by roflumilast and roflumilast N-oxide, and use individual estimates of tPDE4i to predict the occurrence of adverse events (AEs) in patients with moderate-to-severe COPD."	( Population pharmacokinetic modelling of roflumilast and roflumilast N-oxide by total phosphodiesterase-4 inhibitory activity and development of a population pharmacodynamic-adverse event model. Diletti, E; Elmlinger, M; Facius, A; Hünnemeyer, A; Lahu, G; McCracken, N; Ruth, P; Zech, K, 2010)	0.91
" Adverse events were monitored throughout the study."	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	0.6
" No severe or serious adverse events were reported, and no adverse events led to premature study discontinuation."	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	0.6
"Roflumilast, a phosphodiesterase 4 inhibitor, has been shown to improve lung function and reduce exacerbation rates, but is associated with adverse events (AEs)."	( Efficacy and safety of roflumilast in patients with chronic obstructive pulmonary disease: a systematic review and meta-analysis. Lone, NA; Oba, Y, 2013)	2.14
" Hence, we evaluated the effects of roflumilast, a novel oral phosphodiesterase 4 inhibitor developed for the treatment and prevention of COPD exacerbations, on major adverse cardiovascular events (MACEs)."	( Cardiovascular safety in patients receiving roflumilast for the treatment of COPD. Bredenbröker, D; Calverley, PMA; Cooke, GE; Goehring, UM; Kowey, PR; Lakkis, H; Mosberg, H; Rabe, KF; Rowe, P; White, WB; Zhu, H, 2013)	0.93
" Secondary outcomes included other spirometric parameters, health-related quality of life, the overall mortality rate and adverse events."	( Efficacy and safety of roflumilast in patients with stable chronic obstructive pulmonary disease: a meta-analysis. Gu, WJ; Pan, L; Yan, JH, 2014)	0.71
" Roflumilast increased some adverse events including diarrhea, headache, nausea, weight loss, and insomnia."	( Efficacy and safety of roflumilast in patients with stable chronic obstructive pulmonary disease: a meta-analysis. Gu, WJ; Pan, L; Yan, JH, 2014)	1.62
" Although there are insufficient clinical evidence on other clinical endpoints and high risk of some adverse events, roflumilast therapy may benefit COPD patients."	( Efficacy and safety of roflumilast in patients with stable chronic obstructive pulmonary disease: a meta-analysis. Gu, WJ; Pan, L; Yan, JH, 2014)	0.92
" We also demonstrate that GSK356278 enhances performance in a model of executive function in cynomolgus macaques with no adverse effects, a therapeutic profile that supports further evaluation of GSK356278 in a clinical setting."	( GSK356278, a potent, selective, brain-penetrant phosphodiesterase 4 inhibitor that demonstrates anxiolytic and cognition-enhancing effects without inducing side effects in preclinical species. Arban, R; Cavallini, P; Davies, CH; Davis, TG; Gray, FA; Montanari, D; Negri, M; Poffe, A; Rutter, AR; Schneck, J; Vicentini, E; Wren, PB, 2014)	0.4
" Adverse events (AEs) including headache, diarrhoea and weight loss have been reported."	( Roflumilast for asthma: Safety findings from a pooled analysis of ten clinical studies. Bardin, P; Bateman, ED; Bredenbröker, D; Busse, W; Chervinsky, P; Meltzer, EO; Ohta, K, 2015)	1.86
" Safety endpoints included adverse events (AEs) and changes in laboratory values, vital signs, and electrocardiograms."	( Efficacy and Safety of Roflumilast in Korean Patients with COPD. Hong, YK; Lee, JS; Lee, SD; Lee, SW; Oh, YM; Park, TS, 2016)	0.74
" Adverse events were more common in the roflumilast group than in the placebo group; however, the types and frequency of AEs were comparable to those reported in previous studies."	( Efficacy and Safety of Roflumilast in Korean Patients with COPD. Hong, YK; Lee, JS; Lee, SD; Lee, SW; Oh, YM; Park, TS, 2016)	1.01
"Roflumilast is the only phosphodiesterase 4 inhibitor approved for the treatment of COPD patients with chronic cough and sputum, and a history of exacerbations, but the compliance to treatment is reduced by poorly tolerated adverse events (AEs)."	( Drug safety evaluation of roflumilast for the treatment of COPD: a meta-analysis. Calzetta, L; Cazzola, M; Matera, MG; Rogliani, P, 2016)	2.18
" As for the safety of roflumilast treatment, the overall cumulative incidence of adverse drug reaction was 54."	( Potential treatment benefits and safety of roflumilast in COPD: a systematic review and meta-analysis. Cai, Q; Dai, X; Shao, N; Yang, M; Yuan, L, 2016)	1.01
" The adverse drug reaction did not increase significantly in the roflumilast group compared with the control group."	( Potential treatment benefits and safety of roflumilast in COPD: a systematic review and meta-analysis. Cai, Q; Dai, X; Shao, N; Yang, M; Yuan, L, 2016)	0.93
" In addition, adverse events (AEs) were also recorded during the treatment period."	( Effect and safety of roflumilast for chronic obstructive pulmonary disease in Chinese patients. Gao, Y; Liu, DY; Peng, D; Wang, XJ; Wang, ZG; Zhang, HM; Zhang, YX, 2018)	0.8
" Placebo-controlled trials reporting lung function, airway hyperresponsiveness by direct challenge, asthma control and exacerbations, and adverse events were included."	( Efficacy and safety of phosphodiesterase 4 inhibitors in patients with asthma: A systematic review and meta-analysis. Liang, BM; Liu, BC; Liu, CT; Liu, D; Luo, J; Yang, D; Yang, J; Yang, L, 2018)	0.48
"Cardiotoxicity is an important side effect of the treatment of a malignant tumor with Doxorubicin."	( Roflumilast Attenuates Doxorubicin-Induced Cardiotoxicity by Targeting Inflammation and Cellular Senescence in Cardiomyocytes Mediated by SIRT1. Du, Y; Liu, J; Wu, P; Yang, Z; Zhang, S, 2021)	2.06
"Patients with atopic dermatitis (AD) need safe and effective topical treatments."	( The Safety and Efficacy of Roflumilast Cream 0.15% and 0.05% in Patients With Atopic Dermatitis: Randomized, Double-Blind, Phase 2 Proof of Concept Study. Berk, D; Bhatia, N; Bissonnette, R; Draelos, Z; Droege, M; Eads, K; Elias, M; Ferris, L; Gooderham, M; Guenthner, S; Higham, R; Jones, T; Kempers, S; Kircik, L; Koppel, R; Lee, M; Merritt, C; Navale, L; Saint-Cyr Proulx, E; Welgus, H; Zirwas, M, 2023)	1.21
"” Treatment-related adverse events (AEs) occurred in 2 (2."	( The Safety and Efficacy of Roflumilast Cream 0.15% and 0.05% in Patients With Atopic Dermatitis: Randomized, Double-Blind, Phase 2 Proof of Concept Study. Berk, D; Bhatia, N; Bissonnette, R; Draelos, Z; Droege, M; Eads, K; Elias, M; Ferris, L; Gooderham, M; Guenthner, S; Higham, R; Jones, T; Kempers, S; Kircik, L; Koppel, R; Lee, M; Merritt, C; Navale, L; Saint-Cyr Proulx, E; Welgus, H; Zirwas, M, 2023)	1.21

Pharmacokinetics

There was no clinically relevant pharmacokinetic or pharmacodynamic interaction between warfarin and roflumilast. After co-administration of erythromycin, the mean AUC and Cmax of roflomilast increased by 70% and 40%.

Excerpt	Reference	Relevance
" Blood was sampled up to 54 hours for pharmacokinetic profiling of roflumilast and N-oxide."	( Investigation of a potential food effect on the pharmacokinetics of roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor, in healthy subjects. Bethke, TD; Hauns, B; Hauschke, D; Hermann, R; Herzog, R; Hünnemeyer, A; Zech, K, 2006)	0.81
" Therefore, this study investigated the pharmacokinetic characteristics of roflumilast and its pharmacodynamically active metabolite roflumilast N-oxide when co-administered with orally inhaled salbutamol in healthy subjects."	( Roflumilast, a once-daily oral phosphodiesterase 4 inhibitor, lacks relevant pharmacokinetic interactions with inhaled salbutamol when co-administered in healthy subjects. Bethke, TD; David, M; Giessmann, T; Hauns, B; Hauschke, D; Hermann, R; Lahu, G; Siegmund, W; Weinbrenner, A; Westphal, K; Zech, K, 2006)	2.01
"There were no relevant pharmacokinetic interactions between roflumilast and salbutamol at therapeutically effective doses."	( Roflumilast, a once-daily oral phosphodiesterase 4 inhibitor, lacks relevant pharmacokinetic interactions with inhaled salbutamol when co-administered in healthy subjects. Bethke, TD; David, M; Giessmann, T; Hauns, B; Hauschke, D; Hermann, R; Lahu, G; Siegmund, W; Weinbrenner, A; Westphal, K; Zech, K, 2006)	2.02
" Dose-adjusted point estimates and 90% confidence intervals of test (500 microg)/reference (250 microg) ratios for AUC and Cmax of roflumilast and its pharmacologically active N-oxide metabolite after single and repeated dosing were all within the standard equivalence acceptance range (0."	( Dose-proportional intraindividual single- and repeated-dose pharmacokinetics of roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor. Bethke, TD; Böhmer, GM; David, M; Fux, R; Gleiter, CH; Hauns, B; Hermann, R; Knoerzer, D; Mörike, K; Wurst, W, 2007)	0.77
" The integrated exposure-weighted assessment of the observed pharmacokinetic changes of roflumilast and roflumilast N-oxide (tPDE4i) indicates modest average exposure increases to the sum of both compounds."	( Steady-state pharmacokinetics of roflumilast and roflumilast N-oxide in patients with mild and moderate liver cirrhosis. de Mey, C; Hermann, R; Herzog, R; Knoerzer, D; Lahu, G; Nassr, N; Péterfai, E; Zech, K, 2007)	0.84
"This open-label, randomized, 3-period crossover study evaluated the pharmacokinetic interaction potential of roflumilast and budesonide following repeated coadministration to healthy male subjects (N = 12)."	( The oral, once-daily phosphodiesterase 4 inhibitor roflumilast lacks relevant pharmacokinetic interactions with inhaled budesonide. Bethke, TD; Giessmann, T; Hauns, B; Hermann, R; Lahu, G; Reutter, F; Siegmund, W; Weinbrenner, A; Westphal, K; Zech, K, 2007)	0.8
" Pharmacokinetic parameters were determined using standard noncompartmental methods and compared between study groups and within the entire cohort."	( Single-dose pharmacokinetics of roflumilast in children and adolescents. Abdel-Rahman, SM; Bethke, TD; Gleason, MC; Herzog, R; Kearns, GL; Lahu, G; Neville, KA; Szefler, SJ; Zech, K, 2008)	0.63
"This nonrandomized, fixed-sequence, 3-period study investigated potential pharmacokinetic interactions between the leukotriene receptor antagonist montelukast, approved for the treatment of asthma, and roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor in clinical development for asthma and chronic obstructive pulmonary disease."	( The targeted oral, once-daily phosphodiesterase 4 inhibitor roflumilast and the leukotriene receptor antagonist montelukast do not exhibit significant pharmacokinetic interactions. Böhmer, GM; Gleiter, CH; Hermann, R; Hünnemeyer, A; Lahu, G; Nassr, N; Templin, S; Wenger, M, 2009)	0.78
"After co-administration of erythromycin and roflumilast, the mean AUC and Cmax of roflumilast increased by 70% and 40%, respectively."	( Effect of repeated dose of erythromycin on the pharmacokinetics of roflumilast and roflumilast N-oxide. Elmlinger, M; Hermann, R; Herzog, R; Huennemeyer, A; Lahu, G; McCracken, N; Zech, K, 2009)	0.85
" Pharmacokinetic profiles were obtained for days 1 to 6 and 12 to 19."	( Effect of steady-state enoxacin on single-dose pharmacokinetics of roflumilast and roflumilast N-oxide. Elmlinger, M; Herzog, R; Hinder, M; Huennemeyer, A; Lahu, G; Nassr, N; Ruth, P, 2011)	0.61
" Posterior predictive checks and robustness analysis showed that the models adequately described the pharmacokinetic parameters and the covariate effects on disposition."	( Population pharmacokinetic modelling of roflumilast and roflumilast N-oxide by total phosphodiesterase-4 inhibitory activity and development of a population pharmacodynamic-adverse event model. Diletti, E; Elmlinger, M; Facius, A; Hünnemeyer, A; Lahu, G; McCracken, N; Ruth, P; Zech, K, 2010)	0.63
" Plasma samples for pharmacokinetic evaluations of digoxin and roflumilast concentrations with and without concomitant treatment were taken."	( Absence of pharmacokinetic interaction between roflumilast and digoxin in healthy adults. Bethke, TD; Eckermann, G; Lahu, G; Nassr, N, 2012)	0.88
"There was no clinically relevant pharmacokinetic or pharmacodynamic interaction between warfarin and roflumilast."	( Lack of pharmacokinetic and pharmacodynamic interactions of roflumilast with (R, S)-warfarin in healthy adult subjects. Bethke, TD; Lahu, G; McCracken, N, 2011)	0.83
" Blood and urine samples were taken for safety assessment at screening, pharmacokinetic profiling days and Day 19."	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	0.6
" No relevant pharmacokinetic interactions occurred."	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	0.6
"No clinically relevant pharmacokinetic or pharmacodynamic interactions were found when oral roflumilast was administered concomitantly with inhaled formoterol, including no effect on cardiac repolarisation."	( No relevant cardiac, pharmacokinetic or safety interactions between roflumilast and inhaled formoterol in healthy subjects: an open-label, randomised, actively controlled study. de Mey, C; Lahu, G; Nassr, N, 2011)	0.82
"To investigate whether a pharmacokinetic drug-drug interaction exists between theophylline (THEO), a CYP1A2 substrate with a narrow therapeutic index, and the concomitant substrate roflumilast (ROF), a novel selective PDE4 inhibitor partially metabolized by CYP1A2."	( Study investigating pharmacokinetic interaction between theophylline and roflumilast in healthy adults. Bethke, TD; Böhmer, G; Gleiter, CH; Hünnemeyer, A; Lahu, G, 2011)	0.79
" Plasma samples for pharmacokinetic evaluation (AUC, Cmax, t1/2, tmax) including percent peak-trough fluctuation (%PTF) of THEO were taken."	( Study investigating pharmacokinetic interaction between theophylline and roflumilast in healthy adults. Bethke, TD; Böhmer, G; Gleiter, CH; Hünnemeyer, A; Lahu, G, 2011)	0.6
" With coadministered THEO, only steady-state total exposure to ROF (AUC) was increased by 28% whereas other pharmacokinetic parameters (t1/2, Cmax, tmax) of ROF and of the active metabolite roflumilast-N-oxide (R-NO), its main contributor to the pharmacodynamic effects, remained unchanged."	( Study investigating pharmacokinetic interaction between theophylline and roflumilast in healthy adults. Bethke, TD; Böhmer, G; Gleiter, CH; Hünnemeyer, A; Lahu, G, 2011)	0.79
"A minor decrease of exposure (area under the plasma concentration-time curve from time zero to infinity (AUC(0-∞)), maximum plasma concentration (C(max))) and a small increase in elimination half-life (t(1/2)) of roflumilast (-1%; -6%; +19%, respectively) and roflumilast N-oxide (-%; ND; +30%, respectively) were observed in renally impaired patients compared with healthy subjects."	( Influence of renal impairment on the pharmacokinetics of oral roflumilast: an open-label, parallel-group, single-center study. Bethke, TD; Gleiter, CH; Hartmann, M; Hünnemeyer, A; Lahu, G, 2011)	0.8
"The pharmacokinetic changes observed in patients with renal impairment are of small magnitude without clinical importance."	( Influence of renal impairment on the pharmacokinetics of oral roflumilast: an open-label, parallel-group, single-center study. Bethke, TD; Gleiter, CH; Hartmann, M; Hünnemeyer, A; Lahu, G, 2011)	0.61
" The quantitation method was successfully applied for simultaneous estimation of IC87114, RFM and RFN in a pharmacokinetic drug-drug interaction study in Wistar rats."	( Simultaneous quantitation of IC87114, roflumilast and its active metabolite roflumilast N-oxide in plasma by LC-MS/MS: application for a pharmacokinetic study. Mukkanti, K; Thappali, SR; Vakkalanka, SK; Varanasi, KV; Veeraraghavan, S, 2012)	0.65
"We used previously reported population pharmacokinetic/ pharmacodynamic modeling to simulate three dosing scenarios of roflumilast: 500 μ once daily (OD) (approved dose), 250 μ OD and 500 μ every other day (EoD)."	( Application of population pharmacokinetic modeling to explore the impact of alternative roflumilast dosing regimens on tolerability. Facius, A; Lahu, G, 2013)	0.82
" In this study, we present the pharmacokinetic (PK) results and PK/pharmacodynamic (PD) modelling data from OPTIMIZE."	( Pharmacokinetic and Pharmacodynamic Modelling to Characterize the Tolerability of Alternative Up-Titration Regimens of Roflumilast in Patients with Chronic Obstructive Pulmonary Disease. Facius, A; Gardiner, P; Lahu, G; Marostica, E; Watz, H, 2018)	0.69
"To determine the pharmacokinetic properties of the common tablet of roflumilast administered in single and multiple oral doses in Chinese subjects."	( Pharmacokinetics of single- and multiple-dose roflumilast: an open-label, three-way crossover study in healthy Chinese volunteers. Cui, C; Fu, CX; Guo, CX; Hu, P; Huang, J; Kuang, Y; Pei, Q; Yang, GP; Yang, S; Yang, XY, 2018)	0.97
" This method was successfully applied to a pharmacokinetic study in cynomolgus monkeys."	( Simultaneous quantification and pharmacokinetic evaluation of roflumilast and its N-oxide in cynomolgus monkey plasma by LC-MS/MS method. Fu, C; Qiu, F; Qu, H; Zhang, K, 2021)	0.86

Compound-Compound Interactions

We found that roflumilast, when combined with ESHAP chemotherapy, for relapsed/refractory DLBCL was clinically active and well tolerated.

Excerpt	Reference	Relevance
"To calculate the cost-effectiveness of roflumilast in combination with a long-acting beta agonist (LABA) versus LABA as a monotherapy in patients with severe and very severe COPD in Germany."	( [Roflumilast in combination with long-acting bronchodilators in the management of patients with severe and very severe COPD. A cost-effectiveness analysis for Germany]. Ehlken, B; Kotchie, R; Magnussen, H; Nowak, D; Wecht, S, 2013)	1.57
"Studied oxygen independent reaction and phagocytic activity of macrophage cells of patients with chronic obstructive pulmonary disease (COPD) II-III stage when combined with coronary heart disease (CHD)."	( [EFFICIENCY OF COMBINATION OF ROFLUMILAST AND QUERCETIN FOR CORRECTION OXYGEN- INDEPENDENT MECHANISMS AND PHAGOCYTIC ACTIVITY OF MACROPHAGE CELLS OF PATIENTS WITH ACUTE EXACERBATION OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE WHEN COMBINED WITH CORONARY HEAR Gerych, P; Yatsyshyn, R, )	0.42
" We hypothesized that this drug might provide benefit if combined with montelukast, a leukotriene receptor antagonist, in patients whose symptoms are uncontrolled by inhaled corticosteroids and long-acting β-agonists."	( Roflumilast combined with montelukast versus montelukast alone as add-on treatment in patients with moderate-to-severe asthma. Bateman, ED; Goehring, UM; Richard, F; Watz, H, 2016)	1.88
" We analyzed the effects of roflumilast combined with ESHAP (etoposide, cisplatin, methylprednisolone, and cytarabine) chemotherapy in experimental and clinical settings."	( Role of Roflumilast Combined with ESHAP Chemotherapy in Relapsed/Refractory Patients with Diffuse Large B-Cell Lymphoma. Chung, JS; Kim, DY; Kim, SW; Nam, J; Shin, HJ, 2022)	1.45
"We found that roflumilast is efficient when combined with other chemotherapy drugs, especially cytarabine."	( Role of Roflumilast Combined with ESHAP Chemotherapy in Relapsed/Refractory Patients with Diffuse Large B-Cell Lymphoma. Chung, JS; Kim, DY; Kim, SW; Nam, J; Shin, HJ, 2022)	1.52
"We found that roflumilast, when combined with ESHAP chemotherapy, for relapsed/refractory DLBCL was clinically active and well tolerated."	( Role of Roflumilast Combined with ESHAP Chemotherapy in Relapsed/Refractory Patients with Diffuse Large B-Cell Lymphoma. Chung, JS; Kim, DY; Kim, SW; Nam, J; Shin, HJ, 2022)	1.52

Bioavailability

Sex, smoking and race influenced clearance of roflumilast. Food influenced the absorption rate constant and lag time.

Excerpt	Reference	Relevance
" For roflumilast, the covariates of sex, smoking and race influenced clearance; and food influenced the absorption rate constant and lag time."	( Population pharmacokinetic modelling of roflumilast and roflumilast N-oxide by total phosphodiesterase-4 inhibitory activity and development of a population pharmacodynamic-adverse event model. Diletti, E; Elmlinger, M; Facius, A; Hünnemeyer, A; Lahu, G; McCracken, N; Ruth, P; Zech, K, 2010)	1.14
"To establish basic intravenous (IV) pharmacokinetics of roflumilast (ROF) and its pharmacologically active metabolite roflumilast N-oxide (R-NO) and to determine the absolute bioavailability of ROF in humans."	( High absolute bioavailability of the new oral phosphodiesterase-4 inhibitor roflumilast. Bethke, TD; Lahu, G, 2011)	0.85
" After PO administration, ROF was rapidly absorbed; the absolute bioavailability was 79%."	( High absolute bioavailability of the new oral phosphodiesterase-4 inhibitor roflumilast. Bethke, TD; Lahu, G, 2011)	0.6
"ROF is rapidly absorbed after PO administration and exhibits high absolute bioavailability and low clearance pharmacokinetics."	( High absolute bioavailability of the new oral phosphodiesterase-4 inhibitor roflumilast. Bethke, TD; Lahu, G, 2011)	0.6
" A range of potent and orally bioavailable compounds with good in vivo efficacy in animal models of inflammation and reduced emetic potential compared to previously described drugs were synthesized."	( Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. Arnold, N; Beer, D; Brown, L; Cheung, R; Christie, J; Denholm, A; Fozard, JR; Fullerton, JD; Haberthuer, S; Hatto, JD; Keenan, M; Keller, TH; McCarthy, C; Mercer, MK; Oakman, H; Press, NJ; Sahri, H; Taylor, RJ; Tranter, P; Trifilieff, A; Tuffnell, AR; Tweed, M; Tyler, JW; Wagner, T, 2012)	0.38
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Dosage Studied

Study investigated if the time-of-day of dosing of roflumilast, a novel phosphodiesterase-4 inhibitor, affects its pharmacokinetics. Future research will further elucidate the impact of ro Flumlast on COPD and beyond.

Excerpt	Relevance	Reference
" In both study periods, exercise challenge was performed 1 hour after dosing on days 1, 14, and 28."	( The new phosphodiesterase 4 inhibitor roflumilast is efficacious in exercise-induced asthma and leads to suppression of LPS-stimulated TNF-alpha ex vivo. Bethke, T; Birraux, G; Hatzelmann, A; Leclerc, V; Neuhäuser, M; Timmer, W; Wurst, W, 2002)	0.59
"A comparison of clearance and peak and systemic exposure to midazolam following administration of roflumilast indicated no effect of roflumilast dosed to steady state on the pharmacokinetics of midazolam."	( Lack of a pharmacokinetic interaction between steady-state roflumilast and single-dose midazolam in healthy subjects. Blume, H; Erb, KA; Hermann, R; Knoerzer, D; Lahu, G; Nassr, N; Reutter, F; Schug, B; von Richter, O; Zech, K, 2007)	0.8
" Dose-adjusted point estimates and 90% confidence intervals of test (500 microg)/reference (250 microg) ratios for AUC and Cmax of roflumilast and its pharmacologically active N-oxide metabolite after single and repeated dosing were all within the standard equivalence acceptance range (0."	( Dose-proportional intraindividual single- and repeated-dose pharmacokinetics of roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor. Bethke, TD; Böhmer, GM; David, M; Fux, R; Gleiter, CH; Hauns, B; Hermann, R; Knoerzer, D; Mörike, K; Wurst, W, 2007)	0.77
"To investigate the effects of steady-state dosing of fluvoxamine, an inhibitor of cytochrome P450 (CYP) 1A2 and CYP2C19, on the pharmacokinetics of roflumilast, an oral, once-daily phosphodiesterase 4 (PDE4) inhibitor and its pharmacodynamically active metabolite roflumilast N-oxide."	( Effect of fluvoxamine on the pharmacokinetics of roflumilast and roflumilast N-oxide. Hermann, R; Herzog, R; Huennemeyer, A; Lahu, G; von Richter, O; Zech, K, 2007)	0.79
" Other desirable characteristics for a COPD treatment include a once-daily dosing schedule, an oral formulation, and a low frequency of systemic side effects."	( Treatment of chronic obstructive pulmonary disease with roflumilast, a new phosphodiesterase 4 inhibitor. Giembycz, MA; Gross, NJ; Rennard, SI, 2010)	0.61
" The current study involving 16 healthy adults investigated if the time-of-day of dosing of roflumilast, a novel phosphodiesterase-4 inhibitor, affects its pharmacokinetics."	( Chronopharmacology of roflumilast: a comparative pharmacokinetic study of morning versus evening administration in healthy adults. Bethke, TD; Huennemeyer, A; Lahu, G; Lemmer, B, 2010)	0.9
" Indacaterol with 24 hours duration and fast onset of bronchodilation is the first once daily dosing LABA."	( [New drugs in chronic obstructive pulmonary disease]. Chazan, RC, 2011)	0.37
" Future research will further elucidate the impact of roflumilast on COPD and beyond, while alternative dosing regimens may offer a means to ameliorate transient tolerability issues."	( Pharmacokinetic evaluation of roflumilast. Hünnemeyer, A; Lahu, G; Nassr, N, 2011)	0.91
"We used previously reported population pharmacokinetic/ pharmacodynamic modeling to simulate three dosing scenarios of roflumilast: 500 μ once daily (OD) (approved dose), 250 μ OD and 500 μ every other day (EoD)."	( Application of population pharmacokinetic modeling to explore the impact of alternative roflumilast dosing regimens on tolerability. Facius, A; Lahu, G, 2013)	0.82
" However, there is also clinical evidence suggesting the development of tachyphylaxis or tolerance on repeated dosing of roflumilast and the possible contribution of PDE4B up-regulation, which could be counterproductive for suppressing inflammation."	( Cross-talk between PKA-Cβ and p65 mediates synergistic induction of PDE4B by roflumilast and NTHi. Kai, H; Lee, BC; Li, JD; Miyata, M; Susuki-Miyata, S; Xu, H; Yan, C, 2015)	0.85
" We found that both preventative (day 0-21) and therapeutic (day 11-21) dosing regimens of the PDE4 inhibitors significantly ameliorated the weight loss and lung collagen accumulation that are the sequelae of targeted epithelial cell damage."	( Phosphodiesterase 4 inhibition reduces lung fibrosis following targeted type II alveolar epithelial cell injury. Bailie, M; Chibucos, L; Christensen, PJ; Dils, AJ; Hazama, M; Horowitz, JC; Matsuo, T; Muraki, Y; Nikam, S; Sisson, TH; Subbotina, N; Tohyama, K, 2018)	0.48
" mansoni-infected mice treated with a fixed dosage of roflumilast and a variable dosage of PZQ resulted in a higher reduction in worm burden, reduced hepatic egg counts, absence of immature eggs and a marked increase in dead eggs, compared to PZQ alone."	( The phosphodiesterase-4 inhibitor roflumilast impacts Schistosoma mansoni ovipositing in vitro but displays only modest antischistosomal activity in vivo. Botros, SS; de Koning, HP; El-Lakkany, NM; Hammam, OA; Sabra, AN; Seif El-Din, SH; William, S, 2020)	1.09
" Although there have been some other analytical methodologies reported for the determination of roflumilast in pharmaceutical dosage forms, there has not yet been any electrochemical methodology proposed for determination of this unique active pharmaceutical ingredient in its dosage forms."	( Electrochemical Behavior and Square-Wave Stripping Voltammetric Determination of Roflumilast in Pharmaceutical Dosage Forms. Altınöz, S; Çelebier, M; Dogan, A; Süslü, İ, 2021)	1.07
"The aim of this study was to develop an easily applied, selective, sensitive, accurate, and precise square-wave stripping voltammetric (SWSV) method for the determination of roflumilast in its pharmaceutical dosage forms."	( Electrochemical Behavior and Square-Wave Stripping Voltammetric Determination of Roflumilast in Pharmaceutical Dosage Forms. Altınöz, S; Çelebier, M; Dogan, A; Süslü, İ, 2021)	1.04
"This developed and validated SWSV method was applied successfully for the determination of roflumilast in tablet dosage form (Daxas®) to assess active roflumilast content."	( Electrochemical Behavior and Square-Wave Stripping Voltammetric Determination of Roflumilast in Pharmaceutical Dosage Forms. Altınöz, S; Çelebier, M; Dogan, A; Süslü, İ, 2021)	1.07
"The pharmacology of roflumilast, recent dosing revisions, and the integral roles of pharmacists in effective chronic obstructive pulmonary disease (COPD) management are reviewed here."	( The Role of the Pharmacist in Optimizing Outcomes With Roflumilast, a PDE4 Inhibitor for the Treatment of COPD. Williams, D, 2022)	1.29
" Currently, decreasing the dosage of Doxorubicin to alleviate the side effects on cardiac function is the common method to deal with the cardiotoxicity induced by Doxorubicin."	( Roflumilast Attenuates Doxorubicin-Induced Cardiotoxicity by Targeting Inflammation and Cellular Senescence in Cardiomyocytes Mediated by SIRT1. Du, Y; Liu, J; Wu, P; Yang, Z; Zhang, S, 2021)	2.06

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Role	Description
phosphodiesterase IV inhibitor	An EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor that specifically blocks the action of phosphodiesterase IV.
anti-asthmatic drug	A drug used to treat asthma.
[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
benzamides
chloropyridine	Compounds containing a pyridine nucleus substituted with one or more chlorine atoms.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
cyclopropanes	Cyclopropane and its derivatives formed by substitution.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
EWS/FLI fusion protein	Homo sapiens (human)	Potency	17.6840	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259256
[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)
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain B, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.9472	20.0000	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
Chain A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	0.0058	0.0009	0.0739	0.2880	AID977608
cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	1.7767	9.2000	AID1797296
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	1.8523	9.2000	AID1797296
cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	1.1843	9.6140	AID1797296
cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)	IC50 (µMol)	0.0005	0.0000	1.0680	10.0000	AID1681684; AID1703905; AID240760; AID395573; AID619273; AID647426; AID759595
Adenosine receptor A2a	Homo sapiens (human)	IC50 (µMol)	1.0000	0.0007	1.5594	10.0000	AID1324581
Adenosine receptor A2b	Homo sapiens (human)	IC50 (µMol)	1.0000	0.0005	0.3023	1.5000	AID1324582
Adenosine receptor A1	Homo sapiens (human)	IC50 (µMol)	1.0000	0.0002	0.6818	7.7010	AID1324580
Sodium-dependent serotonin transporter	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.5002	0.0003	0.8197	8.4900	AID1324581; AID759595
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	2.1417	9.2000	AID1797296
cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	IC50 (µMol)	31.8660	0.0000	1.1040	10.0000	AID1060994; AID1060996; AID1160998; AID1318756; AID1324554; AID1374977; AID1383034; AID1455726; AID1455743; AID1596278; AID1625374; AID1681684; AID1703912; AID1713828; AID1720018; AID1797296; AID1895842; AID240760; AID395573; AID417910; AID448555; AID462321; AID619272; AID647425; AID647426; AID657314; AID735056; AID749367; AID771350; AID780495
cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)	Ki	0.0004	0.0004	1.1641	8.7600	AID1369853
cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)	IC50 (µMol)	0.0008	0.0000	1.4651	10.0000	AID1681684; AID1703913; AID240760; AID395573; AID647426
cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)	IC50 (µMol)	44.3911	0.0000	1.1463	10.0000	AID1160999; AID1374976; AID1383035; AID1596274; AID1598959; AID1605517; AID1619495; AID1623076; AID1625378; AID1681684; AID1703914; AID1720019; AID1797296; AID1902932; AID240760; AID395573; AID619274; AID647426; AID657313
cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	2.0724	10.0000	AID1797296
cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0003	1.9901	10.0000	AID771352
Beta-2 adrenergic receptor	Cavia porcellus (domestic guinea pig)	IC50 (µMol)	0.0010	0.0004	0.1680	0.9772	AID1060996
Phosphodiesterase	Trypanosoma brucei	Ki	3.1623	3.1623	3.1623	3.1623	AID1369852
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	1.9700	9.2000	AID1797296
cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	2.0513	9.2000	AID1797296
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)	IC50 (µMol)	124.2002	0.0000	1.4904	9.2000	AID1797296
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
heart valve development	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
ventricular septum development	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
aorta development	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
regulation of cGMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cAMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to macrophage colony-stimulating factor stimulus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of vascular permeability	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
positive regulation of vascular permeability	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
regulation of cAMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP catabolic process	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
positive regulation of inflammatory response	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
establishment of endothelial barrier	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to mechanical stimulus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to cAMP	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to cGMP	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to transforming growth factor beta stimulus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cellular response to 2,3,7,8-tetrachlorodibenzodioxine	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
positive regulation of gene expression	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of cGMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of cAMP-mediated signaling	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
regulation of mitochondrion organization	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cAMP catabolic process	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
regulation of DNA-templated transcription	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
cellular response to epidermal growth factor stimulus	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
cAMP-mediated signaling	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
positive regulation of cardiac muscle hypertrophy	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
regulation of nitric oxide mediated signal transduction	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
T cell proliferation	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of T cell proliferation	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP catabolic process	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
oocyte development	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
negative regulation of cardiac muscle contraction	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
relaxation of cardiac muscle	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
positive regulation of oocyte development	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cAMP-mediated signaling	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cAMP catabolic process	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
signal transduction	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
G protein-coupled receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
sensory perception of smell	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
regulation of protein kinase A signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
cellular response to xenobiotic stimulus	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
cAMP-mediated signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
synaptic transmission, dopaminergic	Adenosine receptor A2a	Homo sapiens (human)
response to amphetamine	Adenosine receptor A2a	Homo sapiens (human)
regulation of DNA-templated transcription	Adenosine receptor A2a	Homo sapiens (human)
phagocytosis	Adenosine receptor A2a	Homo sapiens (human)
apoptotic process	Adenosine receptor A2a	Homo sapiens (human)
inflammatory response	Adenosine receptor A2a	Homo sapiens (human)
cellular defense response	Adenosine receptor A2a	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
cell-cell signaling	Adenosine receptor A2a	Homo sapiens (human)
synaptic transmission, cholinergic	Adenosine receptor A2a	Homo sapiens (human)
central nervous system development	Adenosine receptor A2a	Homo sapiens (human)
blood coagulation	Adenosine receptor A2a	Homo sapiens (human)
sensory perception	Adenosine receptor A2a	Homo sapiens (human)
locomotory behavior	Adenosine receptor A2a	Homo sapiens (human)
blood circulation	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of cell population proliferation	Adenosine receptor A2a	Homo sapiens (human)
response to xenobiotic stimulus	Adenosine receptor A2a	Homo sapiens (human)
response to inorganic substance	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of glutamate secretion	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of acetylcholine secretion, neurotransmission	Adenosine receptor A2a	Homo sapiens (human)
regulation of norepinephrine secretion	Adenosine receptor A2a	Homo sapiens (human)
response to purine-containing compound	Adenosine receptor A2a	Homo sapiens (human)
response to caffeine	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Adenosine receptor A2a	Homo sapiens (human)
synaptic transmission, glutamatergic	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of urine volume	Adenosine receptor A2a	Homo sapiens (human)
vasodilation	Adenosine receptor A2a	Homo sapiens (human)
eating behavior	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of vascular permeability	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of neuron apoptotic process	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of circadian sleep/wake cycle, sleep	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of alpha-beta T cell activation	Adenosine receptor A2a	Homo sapiens (human)
astrocyte activation	Adenosine receptor A2a	Homo sapiens (human)
neuron projection morphogenesis	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of protein secretion	Adenosine receptor A2a	Homo sapiens (human)
negative regulation of inflammatory response	Adenosine receptor A2a	Homo sapiens (human)
regulation of mitochondrial membrane potential	Adenosine receptor A2a	Homo sapiens (human)
membrane depolarization	Adenosine receptor A2a	Homo sapiens (human)
regulation of calcium ion transport	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of synaptic transmission, glutamatergic	Adenosine receptor A2a	Homo sapiens (human)
excitatory postsynaptic potential	Adenosine receptor A2a	Homo sapiens (human)
inhibitory postsynaptic potential	Adenosine receptor A2a	Homo sapiens (human)
prepulse inhibition	Adenosine receptor A2a	Homo sapiens (human)
apoptotic signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of long-term synaptic potentiation	Adenosine receptor A2a	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathway	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of chronic inflammatory response to non-antigenic stimulus	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
activation of adenylate cyclase activity	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of cGMP-mediated signaling	Adenosine receptor A2b	Homo sapiens (human)
cGMP-mediated signaling	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of chemokine production	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of interleukin-6 production	Adenosine receptor A2b	Homo sapiens (human)
mast cell degranulation	Adenosine receptor A2b	Homo sapiens (human)
positive regulation of mast cell degranulation	Adenosine receptor A2b	Homo sapiens (human)
relaxation of vascular associated smooth muscle	Adenosine receptor A2b	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Adenosine receptor A2b	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Adenosine receptor A2b	Homo sapiens (human)
vasodilation	Adenosine receptor A2b	Homo sapiens (human)
temperature homeostasis	Adenosine receptor A1	Homo sapiens (human)
response to hypoxia	Adenosine receptor A1	Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathway	Adenosine receptor A1	Homo sapiens (human)
regulation of respiratory gaseous exchange by nervous system process	Adenosine receptor A1	Homo sapiens (human)
negative regulation of acute inflammatory response	Adenosine receptor A1	Homo sapiens (human)
negative regulation of leukocyte migration	Adenosine receptor A1	Homo sapiens (human)
positive regulation of peptide secretion	Adenosine receptor A1	Homo sapiens (human)
positive regulation of systemic arterial blood pressure	Adenosine receptor A1	Homo sapiens (human)
negative regulation of systemic arterial blood pressure	Adenosine receptor A1	Homo sapiens (human)
regulation of glomerular filtration	Adenosine receptor A1	Homo sapiens (human)
protein targeting to membrane	Adenosine receptor A1	Homo sapiens (human)
phagocytosis	Adenosine receptor A1	Homo sapiens (human)
inflammatory response	Adenosine receptor A1	Homo sapiens (human)
signal transduction	Adenosine receptor A1	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Adenosine receptor A1	Homo sapiens (human)
cell-cell signaling	Adenosine receptor A1	Homo sapiens (human)
nervous system development	Adenosine receptor A1	Homo sapiens (human)
negative regulation of cell population proliferation	Adenosine receptor A1	Homo sapiens (human)
response to inorganic substance	Adenosine receptor A1	Homo sapiens (human)
negative regulation of glutamate secretion	Adenosine receptor A1	Homo sapiens (human)
response to purine-containing compound	Adenosine receptor A1	Homo sapiens (human)
lipid catabolic process	Adenosine receptor A1	Homo sapiens (human)
negative regulation of synaptic transmission, GABAergic	Adenosine receptor A1	Homo sapiens (human)
positive regulation of nucleoside transport	Adenosine receptor A1	Homo sapiens (human)
negative regulation of neurotrophin production	Adenosine receptor A1	Homo sapiens (human)
positive regulation of protein dephosphorylation	Adenosine receptor A1	Homo sapiens (human)
vasodilation	Adenosine receptor A1	Homo sapiens (human)
negative regulation of circadian sleep/wake cycle, non-REM sleep	Adenosine receptor A1	Homo sapiens (human)
negative regulation of apoptotic process	Adenosine receptor A1	Homo sapiens (human)
positive regulation of potassium ion transport	Adenosine receptor A1	Homo sapiens (human)
positive regulation of MAPK cascade	Adenosine receptor A1	Homo sapiens (human)
negative regulation of hormone secretion	Adenosine receptor A1	Homo sapiens (human)
cognition	Adenosine receptor A1	Homo sapiens (human)
leukocyte migration	Adenosine receptor A1	Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of pain	Adenosine receptor A1	Homo sapiens (human)
negative regulation of lipid catabolic process	Adenosine receptor A1	Homo sapiens (human)
positive regulation of lipid catabolic process	Adenosine receptor A1	Homo sapiens (human)
regulation of sensory perception of pain	Adenosine receptor A1	Homo sapiens (human)
negative regulation of synaptic transmission, glutamatergic	Adenosine receptor A1	Homo sapiens (human)
fatty acid homeostasis	Adenosine receptor A1	Homo sapiens (human)
excitatory postsynaptic potential	Adenosine receptor A1	Homo sapiens (human)
long-term synaptic depression	Adenosine receptor A1	Homo sapiens (human)
mucus secretion	Adenosine receptor A1	Homo sapiens (human)
negative regulation of mucus secretion	Adenosine receptor A1	Homo sapiens (human)
triglyceride homeostasis	Adenosine receptor A1	Homo sapiens (human)
regulation of cardiac muscle cell contraction	Adenosine receptor A1	Homo sapiens (human)
apoptotic signaling pathway	Adenosine receptor A1	Homo sapiens (human)
regulation of presynaptic cytosolic calcium ion concentration	Adenosine receptor A1	Homo sapiens (human)
negative regulation of long-term synaptic potentiation	Adenosine receptor A1	Homo sapiens (human)
negative regulation of long-term synaptic depression	Adenosine receptor A1	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Adenosine receptor A1	Homo sapiens (human)
response to amphetamine	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
locomotory behavior	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
visual learning	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
monocyte differentiation	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
cellular response to macrophage colony-stimulating factor stimulus	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
dopamine catabolic process	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
serotonin metabolic process	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
cellular response to granulocyte macrophage colony-stimulating factor stimulus	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
cAMP-mediated signaling	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
neutrophil homeostasis	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cAMP catabolic process	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
neutrophil chemotaxis	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
positive regulation of type II interferon production	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
positive regulation of interleukin-2 production	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
T cell receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
leukocyte migration	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cellular response to lipopolysaccharide	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cellular response to xenobiotic stimulus	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cellular response to epinephrine stimulus	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
negative regulation of adenylate cyclase-activating adrenergic receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
regulation of cardiac muscle cell contraction	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
negative regulation of relaxation of cardiac muscle	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
regulation of calcium ion transmembrane transport via high voltage-gated calcium channel	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cAMP-mediated signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cAMP catabolic process	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
cAMP-mediated signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
regulation of heart rate	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
cAMP catabolic process	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
positive regulation of heart rate	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
positive regulation of type II interferon production	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
positive regulation of interleukin-2 production	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
positive regulation of interleukin-5 production	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
negative regulation of peptidyl-serine phosphorylation	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
negative regulation of heart contraction	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
T cell receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
establishment of endothelial barrier	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
adrenergic receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
regulation of cardiac muscle cell contraction	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
regulation of cell communication by electrical coupling involved in cardiac conduction	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
negative regulation of relaxation of cardiac muscle	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
regulation of calcium ion transmembrane transport via high voltage-gated calcium channel	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
cAMP-mediated signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
angiogenesis	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
negative regulation of cell adhesion	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
G protein-coupled receptor signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
negative regulation of angiogenesis	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
cellular response to insulin stimulus	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
negative regulation of cell adhesion mediated by integrin	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
negative regulation of lipid catabolic process	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
cAMP-mediated signaling	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
oocyte maturation	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
lipid metabolic process	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
G protein-coupled receptor signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
response to xenobiotic stimulus	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cAMP-mediated signaling	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cGMP-mediated signaling	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
regulation of meiotic nuclear division	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
negative regulation of apoptotic process	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
negative regulation of vascular permeability	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
positive regulation of vascular permeability	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
steroid hormone mediated signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
negative regulation of cAMP-mediated signaling	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
positive regulation of oocyte development	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
regulation of ribonuclease activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cellular response to cGMP	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cellular response to transforming growth factor beta stimulus	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
apoptotic signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
signal transduction	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
negative regulation of cGMP-mediated signaling	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
negative regulation of cAMP-mediated signaling	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cAMP-mediated signaling	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cAMP catabolic process	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
signal transduction	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
chemical synaptic transmission	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
cAMP-mediated signaling	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
cAMP catabolic process	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
cGMP catabolic process	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
negative regulation of cGMP-mediated signaling	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
cAMP-mediated signaling	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
magnesium ion binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP-stimulated cyclic-nucleotide phosphodiesterase activity	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
protein binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
zinc ion binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cAMP binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
TPR domain binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
phosphate ion binding	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
protein homodimerization activity	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
kinase binding	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
protein kinase activator activity	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
metal ion binding	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
protein binding	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cGMP binding	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
metal ion binding	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
protein binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
cAMP binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
metal ion binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Homo sapiens (human)
protein binding	Adenosine receptor A2a	Homo sapiens (human)
calmodulin binding	Adenosine receptor A2a	Homo sapiens (human)
lipid binding	Adenosine receptor A2a	Homo sapiens (human)
enzyme binding	Adenosine receptor A2a	Homo sapiens (human)
type 5 metabotropic glutamate receptor binding	Adenosine receptor A2a	Homo sapiens (human)
identical protein binding	Adenosine receptor A2a	Homo sapiens (human)
protein-containing complex binding	Adenosine receptor A2a	Homo sapiens (human)
alpha-actinin binding	Adenosine receptor A2a	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A2b	Homo sapiens (human)
protein binding	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor activity	Adenosine receptor A2b	Homo sapiens (human)
G protein-coupled receptor binding	Adenosine receptor A1	Homo sapiens (human)
purine nucleoside binding	Adenosine receptor A1	Homo sapiens (human)
protein binding	Adenosine receptor A1	Homo sapiens (human)
heat shock protein binding	Adenosine receptor A1	Homo sapiens (human)
G-protein beta/gamma-subunit complex binding	Adenosine receptor A1	Homo sapiens (human)
heterotrimeric G-protein binding	Adenosine receptor A1	Homo sapiens (human)
protein heterodimerization activity	Adenosine receptor A1	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A1	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
calmodulin-activated dual specificity 3',5'-cyclic-GMP, 3',5'-cyclic-AMP phosphodiesterase activity	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
protein binding	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
calmodulin binding	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
metal ion binding	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
calmodulin-activated 3',5'-cyclic-GMP phosphodiesterase activity	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
calcium channel regulator activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
protein binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cAMP binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
gamma-tubulin binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
transmembrane transporter binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
metal ion binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
metal ion binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
calcium channel regulator activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
protein binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
enzyme binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
signaling receptor regulator activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
cAMP binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
beta-2 adrenergic receptor binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
transmembrane transporter binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
metal ion binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
ATPase binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
scaffold protein binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
heterocyclic compound binding	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
cGMP-inhibited cyclic-nucleotide phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
protein binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
protein kinase B binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
metal ion binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cGMP-inhibited cyclic-nucleotide phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
protein binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
nuclear estrogen receptor activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
metal ion binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
estrogen binding	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cyclic-nucleotide phosphodiesterase activity	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cGMP-stimulated cyclic-nucleotide phosphodiesterase activity	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cGMP binding	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
metal ion binding	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
metal ion binding	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
3',5'-cyclic-nucleotide phosphodiesterase activity	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
cGMP-stimulated cyclic-nucleotide phosphodiesterase activity	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
cAMP binding	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
cGMP binding	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
metal ion binding	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
3',5'-cyclic-AMP phosphodiesterase activity	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
3',5'-cyclic-GMP phosphodiesterase activity	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
nucleus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cytoplasm	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
mitochondrial outer membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
mitochondrial inner membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
endoplasmic reticulum	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
Golgi apparatus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cytosol	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
plasma membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
presynaptic membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
perinuclear region of cytoplasm	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
nucleus	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
mitochondrial inner membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
perinuclear region of cytoplasm	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
mitochondrial outer membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
synaptic membrane	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cytosol	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
mitochondrial matrix	cGMP-dependent 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cytosol	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
extracellular exosome	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
perinuclear region of cytoplasm	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
cytosol	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
nucleus	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Homo sapiens (human)
cellular_component	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
cytosol	cGMP-specific 3',5'-cyclic phosphodiesterase	Homo sapiens (human)
nucleoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
plasma membrane	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
membrane	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
ruffle membrane	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
nucleus	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Homo sapiens (human)
plasma membrane	Adenosine receptor A2a	Homo sapiens (human)
intermediate filament	Adenosine receptor A2a	Homo sapiens (human)
plasma membrane	Adenosine receptor A2a	Homo sapiens (human)
membrane	Adenosine receptor A2a	Homo sapiens (human)
dendrite	Adenosine receptor A2a	Homo sapiens (human)
axolemma	Adenosine receptor A2a	Homo sapiens (human)
asymmetric synapse	Adenosine receptor A2a	Homo sapiens (human)
presynaptic membrane	Adenosine receptor A2a	Homo sapiens (human)
neuronal cell body	Adenosine receptor A2a	Homo sapiens (human)
postsynaptic membrane	Adenosine receptor A2a	Homo sapiens (human)
presynaptic active zone	Adenosine receptor A2a	Homo sapiens (human)
glutamatergic synapse	Adenosine receptor A2a	Homo sapiens (human)
plasma membrane	Adenosine receptor A2b	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Adenosine receptor A2b	Homo sapiens (human)
presynapse	Adenosine receptor A2b	Homo sapiens (human)
glutamatergic synapse	Adenosine receptor A2b	Homo sapiens (human)
plasma membrane	Adenosine receptor A2b	Homo sapiens (human)
plasma membrane	Adenosine receptor A1	Homo sapiens (human)
plasma membrane	Adenosine receptor A1	Homo sapiens (human)
basolateral plasma membrane	Adenosine receptor A1	Homo sapiens (human)
axolemma	Adenosine receptor A1	Homo sapiens (human)
asymmetric synapse	Adenosine receptor A1	Homo sapiens (human)
presynaptic membrane	Adenosine receptor A1	Homo sapiens (human)
neuronal cell body	Adenosine receptor A1	Homo sapiens (human)
terminal bouton	Adenosine receptor A1	Homo sapiens (human)
dendritic spine	Adenosine receptor A1	Homo sapiens (human)
calyx of Held	Adenosine receptor A1	Homo sapiens (human)
postsynaptic membrane	Adenosine receptor A1	Homo sapiens (human)
presynaptic active zone	Adenosine receptor A1	Homo sapiens (human)
synapse	Adenosine receptor A1	Homo sapiens (human)
dendrite	Adenosine receptor A1	Homo sapiens (human)
cytosol	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
neuronal cell body	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Homo sapiens (human)
centrosome	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
synaptic vesicle	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
postsynaptic density	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
Z disc	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
dendritic spine	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
excitatory synapse	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
gamma-tubulin complex	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
voltage-gated calcium channel complex	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
nucleus	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Homo sapiens (human)
extracellular space	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
cilium	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
nucleus	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Homo sapiens (human)
centrosome	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
plasma membrane	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
apical plasma membrane	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
voltage-gated calcium channel complex	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
calcium channel complex	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
nucleus	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Homo sapiens (human)
endoplasmic reticulum	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
Golgi apparatus	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
cytosol	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
membrane	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
guanyl-nucleotide exchange factor complex	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Homo sapiens (human)
cytosol	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
membrane	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cytosol	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Homo sapiens (human)
cellular_component	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cytosol	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
synapse	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
cytosol	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
perinuclear region of cytoplasm	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
nucleus	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Homo sapiens (human)
cytosol	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (217)

Assay ID	Title	Year	Journal	Article
AID703774	Half life in ferret at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1395052	Inhibition of PDE4 (unknown origin)	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibitors of phosphodiesterase as cancer therapeutics.
AID1324567	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 10 to 1000 ug/kg, it administered as suspension with Penn-Century micro-sprayer aerosolizer dosed 18 hrs before LPS challenge and measured 22 hrs post d	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID462321	Inhibition of human PDE4B	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.
AID1812130	Toxicity in ferret assessed as nausea-like score at 10 umol/kg, IT observed for 4 hrs (Rvb= 12.83+/-5.10)	2021	Journal of medicinal chemistry, 07-08, Volume: 64, Issue:13	Discovery of M
AID1324576	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 6000 ug/kg, it administered as dry powder with lactose carrier through Penn-Century insufflator dosed 18 hrs before LPS challenge and measured 22 hrs po	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID619280	Metabolic stability in human liver microsomes after 30 mins by HPLC-UV method	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1475419	Cmax in human assessed as roflumilast N-oxide formation at 0.5 mg, po administered as single dose	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID1324582	Antagonist activity at adenosine A2b receptor (unknown origin)	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1625374	Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method	2016	Journal of medicinal chemistry, Aug-11, Volume: 59, Issue:15	PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.
AID1726641	Antiinflammatory activity against human PBMC derived primary macrophages assessed as reduction in LPS-induced IL-8 level at 10 uM incubated for 24 hrs by ELISA relative to control	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1667214	Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells at 25 uM preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to control	2020	Bioorganic & medicinal chemistry, 04-01, Volume: 28, Issue:7	Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7.
AID1623112	Cognition enhancement activity in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as swimming time in effective region at 4 mg/kg/day, ig administered for 26 consecutive days by Morris water maze test (4.3 +/-	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID780494	Inhibition of LPS-induced TNFalpha production in Balb/c mouse splenocytes after 18 to 24 hrs by AlphaLISA assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.
AID1812145	Toxicity in ferret assessed as induction of emesis at 10 umol/kg, IT measured for 4 hrs	2021	Journal of medicinal chemistry, 07-08, Volume: 64, Issue:13	Discovery of M
AID703776	Tmax in ferret at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1475420	AUC (infinity) in human at 0.5 mg, po administered as single dose	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID1726629	Antiinflammatory activity in BALB/cJRj mouse air pouch model assessed as decrease in LPS-stimulated monocyte recruitment in air pouch at 20 uM, sc measured after 6 hrs by flow cytometry analysis (Rvb = 1.9 No_unit)	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1475421	AUC (infinity) in human assessed as roflumilast N-oxide formation at 0.5 mg, po administered as single dose	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID619273	Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1703887	Permeability of the compound incubated for 165 mins by PAMPA-BBB assay	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID1713839	Antiinflammatory activity in Swiss albino mouse model of LPS-induced sepsis assessed as reduction in TNFalpha production at 3 mg/kg, po administered 30 mins before LPS stimulation and measured after 90 min by ELISA relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1383038	Inhibition of PDE4B (unknown origin) assessed as reduction in TNFalpha level after 1.5 hrs by cell based ELISA
AID657313	Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting	2012	Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9	Moracin M from Morus alba L. is a natural phosphodiesterase-4 inhibitor.
AID1324568	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 1000 ug/kg, it administered as suspension with Penn-Century micro-sprayer aerosolizer dosed 18 hrs before LPS challenge and measured 22 hrs post dose	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1060994	Inhibition of human PDE4B2	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Design, synthesis and evaluation of dual pharmacology β2-adrenoceptor agonists and PDE4 inhibitors.
AID647425	Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by colorimetric assay	2012	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4	Dual β2-adrenoceptor agonists-PDE4 inhibitors for the treatment of asthma and COPD.
AID1160999	Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay	2014	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 24, Issue:18	Novel Roflumilast analogs as soft PDE4 inhibitors.
AID481743	Inhibition of PDE4 expressed in HEK293 cells coexpressing cyclic nucleotide gated ion channel mutant assessed as inhibition of NECA-induced cAMP production treated 15 mins before NECA challenge measured after 45 mins by FLIPR assay	2010	Bioorganic & medicinal chemistry letters, May-01, Volume: 20, Issue:9	Water-soluble PDE4 inhibitors for the treatment of dry eye.
AID1726635	Antiinflammatory activity against human PBMC derived primary macrophages assessed as reduction in LPS-induced vesicle number at 10 uM incubated for 24 hrs by scanning electron microscopic analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1383040	Half life in Wistar rat liver S9 fraction at 20 uM in presence of NADPH by HPLC-UV analysis
AID1324554	Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1455750	Antiinflammatory activity in Sprague-Dawley rat LPS-induced neutrophilia model assessed as inhibition of LPS-induced increase in netrophils in bronchoalveolar lavage at 2000 ug/kg, it administered as single dose via dry powder insufflator dosed 18 hrs pri	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1681684	Inhibition of PDE4 (unknown origin)	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3
AID1374974	Anti-inflammatory activity in Swiss albino mouse model of sepsis assessed as inhibition of LPS-induced TNFalpha release at 10 mg/kg, po administered 30 mins prior to LPS challenge for 90 mins by ELISA relative to control	2018	Bioorganic & medicinal chemistry letters, 04-15, Volume: 28, Issue:7	Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.
AID1713830	Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production at 100 nM incubated for 15 mins followed by LPS stimulation and measured after 18 hrs by ELISA relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1726634	Antiinflammatory activity against LPS-treated human PBMC derived primary macrophages assessed as increase in flattened cell morphology at 10 uM incubated for 24 hrs by scanning electron microscopic analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1324571	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 10 to 1000 ug/kg, it administered as dry powder with lactose carrier through Penn-Century insufflator dosed 1 hrs before LPS challenge and measured 5 hr	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1713829	Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production at 1000 nM incubated for 15 mins followed by LPS stimulation and measured after 18 hrs by ELISA relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1720018	Inhibition of human PDE4B by scintillation counting method	2020	Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19	Advances in the Development of Phosphodiesterase-4 Inhibitors.
AID1703912	Inhibition of human recombinant PDE4B using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID703786	Antiinflammatory activity in po dosed ovalbumin-sensitized Brown Norway rat assessed as inhibition of ovalbumin-induced eosinophil influx into BALF administered 2 hrs prior to ovalbumin-challenge measured after 24 hrs	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1383035	Inhibition of human PDE4D by ELISA
AID418165	Selectivity for human recombinant PDE4B over human recombinant PDE5	2009	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 19, Issue:5	Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
AID1605517	Inhibition of PDE4D2 (unknown origin)	2020	Journal of medicinal chemistry, 03-26, Volume: 63, Issue:6	Discovery and Optimization of α-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
AID1383037	Inhibition of PDE4B (unknown origin) assessed as increase in cAMP level by measuring cAMP level after 3 hrs by cell based ELISA
AID1872570	Inhibition of PDE4 (unknown origin)	2022	European journal of medicinal chemistry, Mar-15, Volume: 232	Therapeutic potential of phosphodiesterase inhibitors for cognitive amelioration in Alzheimer's disease.
AID1455737	Antiinflammatory activity in Sprague-Dawley rat LPS-induced neutrophilia model assessed as inhibition of LPS-induced increase in netrophils in bronchoalveolar lavage at 1000 ug/kg, it administered single dose as microspray dosed 1 hr prior to nebulized LP	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID619276	Inhibition of LPS-induced TNFalpha production in PBMC	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID703772	Half life in ferret assessed as N-oxide metabolite level at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1726637	Antiinflammatory activity against LPS-induced human PBMC derived primary macrophages assessed as increase in cell size at 10 uM incubated for 24 hrs by scanning electron microscopic analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1383048	Volume of distribution in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID1455743	Inhibition of recombinant human PDE4B1 expressed in African green monkey COS7 cells using cAMP as substrate	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1726656	Antiinflammatory activity in BALB/cJRj mouse air pouch model assessed as decrease in LPS-stimulated monocyte recruitment in air pouch at 200 uM, sc measured after 6 hrs by flow cytometry analysis (Rvb = 1.9 No_unit)	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1895842	Inhibition of human recombinant PDE4B by liquid scintillation counter method	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Zinc enzymes in medicinal chemistry.
AID1324556	Inhibition of PDE4 in human whole blood assessed as reduction in LPS-induced TNFalpha production incubated for 24 hrs by ELISA	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1324557	Drug metabolism in human liver S9 fraction assessed as glucuronidation in presence of PAPS and UDPGA incubated for 20 mins	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1383044	Tmax in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID1713828	Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation proximity assay	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID703784	Antiinflammatory activity in po dosed BALB/c mouse assessed as inhibition of LPS-induced neutrophil influx into BALF administered 1 hr prior to LPS-challenge measured after 3 hrs	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1713831	Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production incubated for 15 mins followed by LPS stimulation and measured after 18 hrs by ELISA relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1667992	Inhibition of recombinant human PDE4B expressed in baculovirus infected Sf9 cells at 10 nM using [3H] cAMP as substrate after 30 min by scintillation proximity assay relative to control	2020	Bioorganic & medicinal chemistry letters, 05-15, Volume: 30, Issue:10	Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation.
AID1324558	Drug metabolism in human liver S9 fraction assessed as sulfonation in presence of PAPS and UDPGA incubated for 20 mins	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1703913	Inhibition of human recombinant PDE4C using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID1383047	AUC (0 to infinity) in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID448555	Inhibition of human recombinant PDE4B by scintillation proximity assay	2009	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17	Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
AID1625378	Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method	2016	Journal of medicinal chemistry, Aug-11, Volume: 59, Issue:15	PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.
AID1160998	Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay	2014	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 24, Issue:18	Novel Roflumilast analogs as soft PDE4 inhibitors.
AID1414356	Anti-inflammatory activity in C57BL/6 mouse model of cigarette smoke induced chronic obstructive pulmonary disease assessed as macrophages level in bronchoalveolar lavage at 5 mg/kg, po BID administered 1 hr prior to both smoke exposure for 7 days by Leis	2018	Bioorganic & medicinal chemistry letters, 12-15, Volume: 28, Issue:23-24	Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD.
AID1166749	Emetogenic potential in surrogate emesis CD1 mouse model assessed as effect on xyclacine/ketamine-induced loss of righting reflex at 5 mg/kg, sc	2014	Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20	Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors.
AID1726658	Antiinflammatory activity in BALB/cJRj mouse air pouch model assessed as decrease in LPS-stimulated macrophage recruitment in air pouch at 2 to 200 uM, sc measured after 6 hrs by flow cytometry analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1726630	Inhibition of recombinant human PDE-4B expressed in Escherichia coli at 20 uM using cAMP as substrate incubated for 60 mins by PDE4 assay kit method relative to control	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID780484	Inhibition of LPS-induced pulmonary neutrophilia in BALB/c mouse assessed as reduction of neutrophils level in bronchoalveolar lavage fluid at 1 mg/kg administered intratracheally 30 mins before LPS challenge measured after 4 to 5 hrs	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.
AID619286	Tmax in ferret at 0.3 mg/kg, po	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1414347	Anti-inflammatory activity in C57BL/6 mouse model of cigarette smoke induced chronic obstructive pulmonary disease assessed as total leukocyte count in bronchoalveolar lavage at 5 mg/kg, po BID administered 1 hr prior to both smoke exposure for 7 days by	2018	Bioorganic & medicinal chemistry letters, 12-15, Volume: 28, Issue:23-24	Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD.
AID1383045	Cmax in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID417910	Inhibition of human recombinant PDE4B by scintillation proximity assay	2009	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 19, Issue:5	Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
AID749367	Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as substrate after 30 mins by plate reader analysis	2013	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 23, Issue:11	Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.
AID1902932	Inhibition of PDE4D (unknown origin)	2022	Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5	Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
AID1598959	Inhibition of PDE4D (unknown origin) using cAMP as substrate	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
AID1623077	Antioxidant activity assessed as trolox equivalent of AAPH-induced radical scavenging activity at 10 to 20 uM preincubated for 10 mins followed by AAPH addition measured every minute for 120 mins by ORAC fluorescein assay	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1383043	Half life in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID749366	Antiinflammatory activity in Balb/c mouse splenocytes assessed as LPS-induced TNF-alpha production after 18 to 24 hrs by AlphaLISA	2013	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 23, Issue:11	Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.
AID1475279	Inhibition of PDE4 in LPS-stimulated human whole blood assessed as decrease in leukotriene B4 level in plasma	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID703777	AUC total in ferret at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1623111	Cognition enhancement activity in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as swimming path length in virtual platform at 4 mg/kg/day, ig administered for 26 consecutive days by Morris water maze test (	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1623106	Cognition enhancement activity in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as swimming speed at 4 mg/kg/day, ig administered for 26 consecutive days by Morris water maze test (Rvb = 15.6 +/- 2.4 cm/sec)	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1455749	Antiinflammatory activity in Sprague-Dawley rat LPS-induced neutrophilia model assessed as inhibition of LPS-induced increase in netrophils in bronchoalveolar lavage at 2000 ug/kg, it administered as single dose via dry powder insufflator dosed 1 hr prior	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID771350	Inhibition of core catalytic domains PDE4B (unknown origin)	2013	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 23, Issue:19	Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity.
AID1703888	Drug absorption of the compound incubated for 8 hrs by PAMPA-TGI assay	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID771352	Inhibition of core catalytic domains PDE3A (unknown origin)	2013	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 23, Issue:19	Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity.
AID1383041	Intrinsic clearance in Wistar rat liver S9 fraction at 20 uM in presence of NADPH by UPLC-MS/MS analysis
AID1369853	Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay	2018	Journal of medicinal chemistry, 05-10, Volume: 61, Issue:9	Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
AID1369854	Selectivity ratio of Ki for full length recombinant human PDE4B1 to Ki for full length Trypanosoma brucei PDEB1	2018	Journal of medicinal chemistry, 05-10, Volume: 61, Issue:9	Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
AID619289	Apparent permeability across human Caco2 cells after 3 hrs	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1475310	In vivo inhibition of P38 MAPKalpha in Lewis rat assessed as decrease in LPS-stimulated TNFalpha level in serum at 10 mg/kg, po pretreated for 1 hr followed by LPS addition measured after 1.5 hrs post dose relative to control	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID1324580	Antagonist activity at adenosine A1 receptor (unknown origin)	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1703889	Permeability of the compound incubated for 8 hrs by PAMPA-TGI assay	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID1623076	Inhibition of human PDE4D2 (86 to 413 residues) catalytic domain using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID456864	Inhibition of ovalbumin-induced eosinophil peroxidase activity in mouse bronchoalveolar lavage fluid at 30 mg/kg measured after 62 hrs of ovalbumin challenge relative to control	2010	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 20, Issue:3	Design, synthesis, and evaluation of 2-aryl-7-(3',4'-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors.
AID619278	Antiemetic activity in po dosed ferret up to 3 hrs	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID418164	Selectivity for human recombinant PDE4B over bovine aorta PDE3	2009	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 19, Issue:5	Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
AID735056	Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30 mins by colorimetric assay method	2013	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 23, Issue:5	Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: dual β₂-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD.
AID1726628	Antiinflammatory activity in BALB/cJRj mouse air pouch model assessed as decrease in LPS-stimulated monocyte recruitment in air pouch at 2 uM, sc measured after 6 hrs by flow cytometry analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1625377	Inhibition of recombinant human PDE4D7 catalytic domain expressed in baculovirus infected sf9 cells using cAMP as substrate	2016	Journal of medicinal chemistry, Aug-11, Volume: 59, Issue:15	PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.
AID1414351	Anti-inflammatory activity in C57BL/6 mouse model of cigarette smoke induced chronic obstructive pulmonary disease assessed as neutrophil level in bronchoalveolar lavage at 5 mg/kg, po BID administered 1 hr prior to both smoke exposure for 7 days by Leish	2018	Bioorganic & medicinal chemistry letters, 12-15, Volume: 28, Issue:23-24	Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD.
AID619275	Inhibition of LPS-induced TNFalpha production in human whole blood after 24 hrs by ELISA	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID657314	Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting	2012	Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9	Moracin M from Morus alba L. is a natural phosphodiesterase-4 inhibitor.
AID759553	Binding affinity to human serum albumin	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
AID780495	Inhibition of recombinant human PDE4B using cAMP as substrate after 30 mins	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.
AID703779	Cmax in ferret at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1383049	Clearance in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID703775	Cmax in ferret assessed as N-oxide metabolite level at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1623078	Effective permeability of the compound at 100 ug/ml after 10 hrs by BBB-PAMPA method	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID632290	Inhibition of His-tagged catalytic domain Trypanosoma brucei brucei PDEB1 expressed in baculovirus infected insect Sf21 cells	2011	Journal of medicinal chemistry, Dec-08, Volume: 54, Issue:23	Pharmacological validation of Trypanosoma brucei phosphodiesterases B1 and B2 as druggable targets for African sleeping sickness.
AID1166748	Emetogenic potential in surrogate emesis CD1 mouse model assessed as effect on xyclacine/ketamine-induced loss of righting reflex at 1 mg/kg, sc	2014	Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20	Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors.
AID1667994	Inhibition of PDE4D2 (unknown origin) at 10 nM relative to control	2020	Bioorganic & medicinal chemistry letters, 05-15, Volume: 30, Issue:10	Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation.
AID1726636	Antiinflammatory activity against LPS-treated human PBMC derived primary macrophages assessed as intricate cytoplasm at 10 uM incubated for 24 hrs by scanning electron microscopic analysis	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1374976	Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate after 30 mins	2018	Bioorganic & medicinal chemistry letters, 04-15, Volume: 28, Issue:7	Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.
AID703783	Toxicity in ferret assessed as emesis at 0.075 to 4.8 mg/kg, po after 4 hrs	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID1703905	Inhibition of human recombinant PDE4A using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID1623117	Neuroprotection in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as reduction in ratio of apoptotic neuron in CA3 hippocampus region at 4 mg/kg/day, ig administered for 26 consecutive days by hematoxylin and	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1324583	Selectivity index, ratio of IC50 for adenosine A1/A2a/A2b receptor (unknown origin) to IC50 for inhibition of PDE4 in PBMC (unknown origin) assessed as reduction in LPS-induced TNFalpha production	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1596274	Inhibition of PDE4D (unknown origin)	2019	European journal of medicinal chemistry, Jul-15, Volume: 174	InCl
AID1703914	Inhibition of human recombinant PDE4D using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis	2020	European journal of medicinal chemistry, Oct-15, Volume: 204	Discovery of sulfonyl hydrazone derivative as a new selective PDE4A and PDE4D inhibitor by lead-optimization approach on the prototype LASSBio-448: In vitro and in vivo preclinical studies.
AID1475418	Cmax in human at 0.5 mg, po administered as single dose	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID1324565	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 1000 ug/kg, it administered as suspension with Penn-Century micro-sprayer aerosolizer dosed 1 hrs before LPS challenge and measured 5 hrs post dose	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID619274	Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1475425	Fraction unbound in human plasma	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID1720019	Inhibition of human PDE4D by scintillation counting method	2020	Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19	Advances in the Development of Phosphodiesterase-4 Inhibitors.
AID1374973	Anti-inflammatory activity in Sprague-Dawley rat model of LPS-induced asthma/COPD assessed as inhibition of neutrophilia in BALF at 10 mg/kg, po administered 30 mins prior to LPS challenge for 40 mins relative to control	2018	Bioorganic & medicinal chemistry letters, 04-15, Volume: 28, Issue:7	Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.
AID647426	Inhibition of PDE4 in human neutrophils using [3H]cAMP as substrate	2012	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4	Dual β2-adrenoceptor agonists-PDE4 inhibitors for the treatment of asthma and COPD.
AID759595	Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
AID759589	Aqueous solubility of the compound at pH 7.4	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
AID1596278	Inhibition of PDE4B (unknown origin)	2019	European journal of medicinal chemistry, Jul-15, Volume: 174	InCl
AID759552	Toxicity in po dosed ferret assessed as first emetic dose by measuring occurrence of vomiting episode after 6 hrs	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
AID771348	Antiinflammatory activity in LPS-stimulated rat assessed as total number of leukocytes in bronchoalveolar lavage fluid at 10 mg/kg, po administered 1 hr before LPS challenge measured after 3 hrs	2013	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 23, Issue:19	Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity.
AID703771	AUC total in ferret assessed as N-oxide metabolite level at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID619272	Inhibition of human PDE4B1 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID395574	Inhibition of TNFalpha production in LPS-stimulated human PBMC preincubated before LPS challenge measured after 4 hrs by enzyme immunoassay	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Discovery of (S)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl] acetamide (apremilast), a potent and orally active phosphodiesterase 4 and tumor necrosis factor-alpha inhibitor.
AID1475242	Inhibition of PDE4 in human U937 cells assessed as [3H]cAMP hydrolysis at 1 uM relative to control	2017	Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13	Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
AID456863	Inhibition of ovalbumin-induced airway hyperresponsiveness in mouse at 30 mg/kg measured after 48 hrs of ovalbumin challenge	2010	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 20, Issue:3	Design, synthesis, and evaluation of 2-aryl-7-(3',4'-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors.
AID1324581	Antagonist activity at adenosine A2a receptor (unknown origin)	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1324564	Anti-inflammatory activity in Sprague-Dawley rat assessed as inhibition of LPS-induced neutrophilia at 10 to 1000 ug/kg, it administered as suspension with Penn-Century micro-sprayer aerosolizer dosed 1 hrs before LPS challenge and measured 5 hrs post dos	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID619282	Cmax in ferret at 0.3 mg/kg, po	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1383042	Protein binding in human plasma after 5 hrs by equilibrium dialysis method
AID418159	Inhibition of LPS-induced TNFalpha production in human whole blood	2009	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 19, Issue:5	Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
AID1455726	Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by scintillation proximity assay	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1324555	Inhibition of PDE4 in PBMC (unknown origin) assessed as reduction in LPS-induced TNFalpha production incubated for 24 hrs by ELISA	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1455729	Thermodynamic solubility of the compound at 22 degC	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1383046	AUC (0 to t) in Sprague-Dawley rat at 1 mg/kg, sc administered as single dose by UPLC-MS/MS analysis
AID1374977	Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate after 30 mins	2018	Bioorganic & medicinal chemistry letters, 04-15, Volume: 28, Issue:7	Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.
AID1383036	Selectivity ratio of IC50 for human PDE4D to IC50 for human PDE4B
AID619277	Inhibition of LPS-induced TNFalpha production in neutrophilia rat at 0.3 mg/kg, po	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1380118	Inhibition of PDE4 (unknown origin)	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer's Disease.
AID1667215	Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells at 12.5 uM preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to contr	2020	Bioorganic & medicinal chemistry, 04-01, Volume: 28, Issue:7	Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7.
AID393504	Antiinflammatory activity in po dosed BN rat late airway inflammatory model assessed as inhibition of ovalbumin-induced cell infiltration in bronchoalveolar lavage fluid measured 48 hrs after ovalbumin challenge	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Discovery of (S)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl] acetamide (apremilast), a potent and orally active phosphodiesterase 4 and tumor necrosis factor-alpha inhibitor.
AID240760	Inhibition of human phosphodiesterase 4	2005	Journal of medicinal chemistry, May-19, Volume: 48, Issue:10	The next generation of phosphodiesterase inhibitors: structural clues to ligand and substrate selectivity of phosphodiesterases.
AID1318756	Inhibition of the human PDE4B catalytic domain after 30 mins in presence of [3H]cAMP/[3H]cGMP by scintillation counting	2016	Journal of medicinal chemistry, 10-13, Volume: 59, Issue:19	The "Cyclopropyl Fragment" is a Versatile Player that Frequently Appears in Preclinical/Clinical Drug Molecules.
AID1369852	Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay	2018	Journal of medicinal chemistry, 05-10, Volume: 61, Issue:9	Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
AID619284	Half life in ferret at 0.3 mg/kg, po	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID395573	Inhibition of human PDE4	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Discovery of (S)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl] acetamide (apremilast), a potent and orally active phosphodiesterase 4 and tumor necrosis factor-alpha inhibitor.
AID1623101	Cognition enhancement activity in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as decrease in escape latancy at 4 mg/kg/day, ig administered for 26 consecutive days by Morris water maze test	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1667213	Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells at 50 uM preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to control	2020	Bioorganic & medicinal chemistry, 04-01, Volume: 28, Issue:7	Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7.
AID1374975	Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha release preincubated for 30 mins followed by LPS stimulation for 18 hrs by TR-FRET assay	2018	Bioorganic & medicinal chemistry letters, 04-15, Volume: 28, Issue:7	Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.
AID1713854	Antiinflammatory activity in Sprague-Dawley rat model of LPS-induced COPD and asthma assessed as reduction in total cell count in BALF at 10 mg/kg, po administered 30 mins before LPS stimulation and measured after 6 hrs relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1623108	Cognition enhancement activity in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as increase in number of virtual platform crossing at 4 mg/kg/day, ig administered for 26 consecutive days by Morris water maze	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1455725	Inhibition of PDE4 in human whole blood PBMC assessed as reduction in LPS-induced TNFalpha production after 24 hrs by ELISA	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
AID1623116	Neuroprotection in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as reduction in ratio of apoptotic neuron in CA1 hippocampus region at 4 mg/kg/day, ig administered for 26 consecutive days by hematoxylin and	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID703773	Tmax in ferret assessed as N-oxide metabolite level at 2.98 umol/kg, ig	2012	Journal of medicinal chemistry, Sep-13, Volume: 55, Issue:17	Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.
AID619279	Metabolic stability in rat liver microsomes	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID759556	Inhibition of LPS-induced neutrophilia in ferret COPD model BAL-fluid at 0.01 mg/kg, po	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
AID1060996	Inhibition of human recombinant PDE4B2 assessed as inhibition of cAMP hydrolysis by colorimetric assay	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Design, synthesis and evaluation of dual pharmacology β2-adrenoceptor agonists and PDE4 inhibitors.
AID1383034	Inhibition of human PDE4B by ELISA
AID1713827	Inhibition of human PDE4B using [3H]cAMP as substrate at 100 nM incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation proximity assay relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1713826	Inhibition of human PDE4B using [3H]CAMP as substrate at 1000 nM incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation proximity assay relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID1623118	Neuroprotection in amyloid beta (25 to 35 residues) induced C57BL/6J mouse model of Alzheimer's disease assessed as reduction in ratio of apoptotic neuron in DG hippocampus region at 4 mg/kg/day, ig administered for 26 consecutive days by hematoxylin and	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.
AID1726639	Cytotoxicity against human PBMC derived primary macrophages assessed as reduction in cell viability at 10 uM incubated for 24 hrs by LDH assay	2021	RSC medicinal chemistry, Apr-28, Volume: 12, Issue:4	Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.
AID1713834	Antiinflammatory activity in Sprague-Dawley rat model of LPS-induced COPD and asthma assessed as reduction in neutrophil influx in BALF at 10 mg/kg, po administered 30 mins before LPS stimulation and measured after 6 hrs relative to control	2016	Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22	In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.
AID619288	AUC (0 to t) in ferret at 0.3 mg/kg, po	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.
AID1797296	Phosphodiesterase (PDE) Inhibition Assay from Article 10.1016/j.str.2004.10.004: \\Structural basis for the activity of drugs that inhibit phosphodiesterases.\\	2004	Structure (London, England : 1993), Dec, Volume: 12, Issue:12	Structural basis for the activity of drugs that inhibit phosphodiesterases.
AID1745854	NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1745855	NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
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.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC 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.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
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.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2010	Nature biotechnology, Jan, Volume: 28, Issue:1	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
AID1347054	Inhibition of BCRP-mediated mitoxantrone efflux in human myeloid leukemia PLB985 cells measured by flow cytometry	2017	SLAS discovery : advancing life sciences R & D, 01, Volume: 22, Issue:1	Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2004	Structure (London, England : 1993), Dec, Volume: 12, Issue:12	Structural basis for the activity of drugs that inhibit phosphodiesterases.
AID1345234	Human phosphodiesterase 4B (Phosphodiesterases, 3',5'-cyclic nucleotide (PDEs))	2009	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 19, Issue:5	Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	97 (17.51)	29.6817
2010's	319 (57.58)	24.3611
2020's	138 (24.91)	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	90 (15.90%)	5.53%
Reviews	114 (20.14%)	6.00%
Case Studies	4 (0.71%)	4.05%
Observational	1 (0.18%)	0.25%
Other	357 (63.07%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
dinitrochlorobenzene Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.	2.05	1	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.	2.01	1	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	2.6	1	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
adenine [no description available]	7.83	3	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
carbamates [no description available]	3.19	1	0	amino-acid anion
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	7.02	1	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	2.13	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.46	2	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
coumarin 2H-chromen-2-one: coumarin derivative	2.76	2	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	2.6	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	2.72	2	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	2.15	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
glycine [no description available]	9.84	2	1	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 Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	4.37	1	1	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
histamine [no description available]	2.49	2	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	2.6	1	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.31	1	0	cyclitol; hexol
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.02	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.	2.6	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	2.69	2	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	2.6	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	3.12	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	2.6	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.72	2	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1,2-dimethylhydrazine 1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice.	2.25	1	0	hydrazines	alkylating agent; carcinogenic agent
3-aminobenzamide [no description available]	2.6	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pleconaril WIN 63843: structure given in first source	2.6	1	0
4-(2-aminoethyl)benzenesulfonylfluoride [no description available]	2.6	1	0
phenytoin [no description available]	2.6	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)	2.6	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	10.1	13	5	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprenolol Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.	2.6	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
am 580 Am 580: a selctive retinoic acid receptor (alpha) agonist; structure given in first source. 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid : An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist.	2.48	2	0	amidobenzoic acid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	2.6	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
theophylline [no description available]	8.75	13	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
2-aminothiazole 2-aminothiazole: RN given refers to parent cpd; structure. 1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.	2.6	1	0	1,3-thiazoles; primary amino compound
dan 2163 [no description available]	2.25	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	2.6	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	2.76	2	0	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 Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.	2.89	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azelastine azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia. azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.	2.02	1	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
baclofen [no description available]	2.6	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.	2.6	1	0	benzamides
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	7.15	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
betaxolol [no description available]	2.13	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
caffeine [no description available]	2.25	1	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.93	3	0	aromatic ether; nitrile; polyether; tertiary amino compound
camostat camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.	2.6	1	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
camphor, (+-)-isomer [no description available]	2.6	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
candesartan candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.	2.6	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.	2.6	1	0	pyridinium ion
chloroxylenol chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure. 4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores.	2.6	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	2.72	2	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cilostamide cilostamide: selective inhibitor of cyclic AMP phosphodiesterase & platelet aggregation; structure	3.58	2	0	quinolines
cilostazol [no description available]	4.86	3	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.	7.06	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
ciprofibrate [no description available]	2.6	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
cisapride Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed). cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.	2.15	1	0	benzamides
5,7-dimethoxycoumarin 5,7-dimethoxycoumarin: has photobiological activity	2.41	1	0	coumarins
clioquinol Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.. 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease.	7.21	1	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clomipramine Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.	2.6	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	2.55	2	0	clonidine; imidazoline
danthron danthron: structure. chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8.	2.6	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone [no description available]	2.15	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferiprone Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.. deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia.	2.6	1	0	4-pyridones	iron chelator; protective agent
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	2.21	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	2.25	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	2.52	2	0	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
dipyridamole Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752). dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.	4.32	5	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disulfiram [no description available]	2.6	1	0	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
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.6	1	0	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
thiorphan Thiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.	2.07	1	0	N-acyl-amino acid
donepezil Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.	2.88	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxazosin Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.. doxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.	2.6	1	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
dipropizine [no description available]	2.13	1	0	piperazines
ebselen ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.	2.6	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
enoxacin Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.. enoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.	8.91	2	1	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
epinastine epinastine: RN given refers parent cpd. epinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.	2.04	1	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
etazolate Etazolate: A potent phosphodiesterase inhibitor proposed as an antipsychotic agent.. etazolate : A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties.	4.22	2	0	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor
etidronate Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.	2.6	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
2-hexyloxybenzamide 2-hexyloxybenzamide: structure	2.6	1	0	aromatic ether; benzamides	antifungal agent
brl 42810 [no description available]	2.6	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
fluphenazine [no description available]	2.6	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	2.6	1	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	2.05	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gabexate Gabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.	2.6	1	0	benzoate ester
glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.	2.6	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
fasudil fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.	2.6	1	0	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
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.6	1	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.6	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexylresorcinol [no description available]	2.6	1	0	resorcinols
beta-thujaplicin beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.	2.6	1	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
hycanthone Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.. hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.	2.6	1	0	thioxanthenes	mutagen; schistosomicide drug
hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.	2.6	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea [no description available]	2.6	1	0	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
ibudilast [no description available]	3.69	2	0	pyrazolopyridine
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	7.9	2	0	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
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	2.54	2	0	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
avapro Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.. irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.	2.6	1	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	4.12	4	0	3-isobutyl-1-methylxanthine
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	2.11	1	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	3.38	6	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
itraconazole [no description available]	2.6	1	0	piperazines
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	8.43	1	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketotifen Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.. ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.	2.04	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
kojic acid [no description available]	2.6	1	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
lapachol lapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae.	2.76	2	0
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	2.25	1	0	(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
lomefloxacin lomefloxacin: structure given in first source. lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.	2.63	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loperamide Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	2.52	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	2.6	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position	2.6	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source. 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines.	2.6	1	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
mafenide Mafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.	2.6	1	0	aromatic amine
mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.	2.25	1	0	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
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	10.37	2	2	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methazolamide Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.	2.6	1	0	sulfonamide; thiadiazoles
methocarbamol Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206). methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.. 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.	2.6	1	0	aromatic ether; carbamate ester; secondary alcohol
metoprolol Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.	2.13	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	8.42	1	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone [no description available]	3.12	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	2.6	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
entinostat [no description available]	2.6	1	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.6	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
nabumetone Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.. nabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.	2.6	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nafamostat nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic	2.6	1	0	benzoic acids; guanidines
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.6	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 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 : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	2.63	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	2.6	1	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
osalmide osalmide: structure	2.6	1	0	organic molecular entity
oxethazaine [no description available]	2.6	1	0	amino acid amide
oxidopamine Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).	2.17	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
palmidrol palmidrol: a cannabinoid receptor-inactive eCB-related molecule used as prophylactic in helping to prevent respiratory viral infection. palmitoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.	2.6	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	4.55	6	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentamidine Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.	2.17	1	0	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
pentoxifylline [no description available]	2.94	3	0	oxopurine
perhexiline Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.	2.6	1	0	piperidines	cardiovascular drug
phenazopyridine Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.. phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.	2.6	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	2.21	1	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.	2.6	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
phenylmethylsulfonyl fluoride Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.. phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group.	2.6	1	0	acyl fluoride	serine proteinase inhibitor
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.6	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pj-34 PJ34 : A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.	2.6	1	0	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent
4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.	3.76	2	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
praziquantel azinox: Russian drug	2.76	2	0	isoquinolines
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.	2.6	1	0	benzoic acids; sulfonamide	uricosuric drug
probucol Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).. probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.	2.6	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
promazine Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.	2.72	2	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	2.6	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	2.87	3	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
ranitidine [no description available]	2.1	1	0	aralkylamine
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	2.6	1	0	alkylamine
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.	2.06	1	0	methoxybenzenes
rolipram [no description available]	8.52	44	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
sb 220025 SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source. SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.	2.05	1	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 216995 [no description available]	2.05	1	0
scriptaid scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source	2.6	1	0	isoquinolines
sebacic acid sebacic acid : An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane.	2.6	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
sevoflurane Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.	2.87	3	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
fenofibrate [no description available]	2.6	1	0	benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor
imatinib [no description available]	2.6	1	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.25	1	0
suprofen Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.	2.6	1	0	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
terbutaline Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.	2.05	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	5.37	6	0	phthalimides; piperidones
ticlopidine Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.. ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group.	2.6	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
trequinsin trequinsin: RN given refers to parent cpd; structure given in first source	2.06	1	0	pyridopyrimidine
triamterene Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.. triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.	2.6	1	0	pteridines	diuretic; sodium channel blocker
trifluoperazine [no description available]	2.6	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.	2.6	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trigonelline trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure. N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.. N-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group.	2.6	1	0	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite
trimethobenzamide trimethobenzamide: major descriptor (64-84); on-line search BENZAMIDES (64-84); Index Medicus search TRIMETHOBENZAMIDE (64-84); RN given refers to parent cpd. trimethobenzamide : The amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans.	2.6	1	0	benzamides; tertiary amino compound	antiemetic
trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.	2.6	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tyrphostin a9 [no description available]	2.6	1	0	alkylbenzene	geroprotector
delavirdine Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.. delavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.	2.6	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
vesnarinone [no description available]	2.6	1	0	organic molecular entity
zardaverine zardaverine: structure given in first source. zardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.	4.09	4	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
zolpidem Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.	3.19	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
corticosterone [no description available]	2.11	1	0	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
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.	2.74	3	0	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
hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.	2.13	1	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
dextroamphetamine Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic.. (S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration.	2.17	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.25	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	2.25	1	0	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
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	2.6	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
idoxuridine [no description available]	2.6	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
desoxycorticosterone acetate Desoxycorticosterone Acetate: The 21-acetate derivative of desoxycorticosterone.	2.11	1	0	corticosteroid hormone
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	2.6	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.6	1	0	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
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	5.99	10	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	2.6	1	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
papaverine hydrochloride [no description available]	3.51	1	0
zoxazolamine Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.	2.6	1	0	benzoxazole
methacholine chloride Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116)	2.05	1	0	quaternary ammonium salt
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	2.6	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
ficusin Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.	2.6	1	0	psoralens	plant metabolite
tubercidin Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.. tubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus.	2.6	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
cytarabine [no description available]	2.41	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557). trifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis.	2.6	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	2.41	1	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.	3.01	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.	2.6	1	0	anthraquinone
salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.	2.6	1	0	benzanilide fungicide; salicylamides; salicylanilides
gramine gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.	2.6	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
2,6-xylidine 2,6-xylidine: RN given refers to parent cpd. 2,6-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).	2.01	1	0	dimethylaniline; primary arylamine	carcinogenic agent; drug metabolite
picryl chloride Picryl Chloride: A hapten that generates suppressor cells capable of down-regulating the efferent phase of trinitrophenol-specific contact hypersensitivity. (Arthritis Rheum 1991 Feb;34(2):180).. 1-chloro-2,4,6-trinitrobenzene : The C-nitro compound that is chlorobenzene with three nitro substituents in the 2-, 4- and 6-positions.	2.04	1	0	C-nitro compound; monochlorobenzenes	allergen; epitope; explosive; hapten
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.	2.6	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
4-nitrobenzenesulfonyl chloride 4-nitrobenzenesulfonyl chloride: used to detect and characterize trace amounts of biologically active steroids, such as estrogens, androgens and neuroactive steroids; structure in first source	2.25	1	0
methyl gallate methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.	2.6	1	0	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite
monobenzone monobenzone: structure. monobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation.	2.6	1	0	benzyl ether	allergen; dermatologic drug; melanin synthesis inhibitor
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	2.17	1	0	pyrrole; secondary amine
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	3.41	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
1-hydroxyphthalazine 1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5	2.07	1	0	phthalazines
diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.	2.13	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	2.6	1	0	dithiocarbamic acids	chelator; copper chelator
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	2.6	1	0	catechin	antioxidant; plant metabolite
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	2.77	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
thiazoles [no description available]	4.64	4	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
monocrotaline Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment.	7.05	1	0	pyrrolizidine alkaloid
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	2.6	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
lucanthone Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46). lucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.	2.6	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
cepharanthine cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.	2.6	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin aloe emodin: structure distinct from emodin; this does not mean emodin from aloe. Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.	2.6	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
chrysophanic acid chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.	2.6	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	2.6	1	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
osthol osthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first source	2.6	1	0	botanical anti-fungal agent; coumarins	metabolite
flavanone flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.	2.6	1	0	flavanones
phloretic acid phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position.	2.6	1	0	hydroxy monocarboxylic acid	plant metabolite
alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.	23.28	497	102
oleanolic acid [no description available]	2.6	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
angelicin angelicin: used as tranquillizer; sedative; or anticonvulsant; structure	2.6	1	0	furanocoumarin
diperodon diperodon: RN given refers to parent cpd; structure given in first source	2.6	1	0	carbamate ester
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	7.41	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	7.41	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
megestrol acetate [no description available]	2.6	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
glycopyrrolate Glycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics.. glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio.	3.56	1	1	organic bromide salt; quaternary ammonium salt
5-nitroquinoline [no description available]	2.13	1	0
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.66	2	0	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 Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.	8.43	1	1	cyclic ketone; erythromycin
hydroxychloroquine sulfate [no description available]	2.6	1	0
2-amino-4,6-dimethyl pyrimidine 2-amino-4,6-dimethyl pyrimidine: structure in first source	2.13	1	0	aminopyrimidine
ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.	2.6	1	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
metformin hydrochloride metformin hydrochloride : A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride.	2.6	1	0	hydrochloride	environmental contaminant; hypoglycemic agent; xenobiotic
antimycin a [no description available]	2.6	1	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
5,5'-dimethyl-2,2'-bipyridyl 5,5'-dimethyl-2,2'-bipyridyl: structure in first source	2.6	1	0	bipyridines
dichlorobenzyl alcohol 2,4-dichlorobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines.	2.6	1	0	benzyl alcohols; dichlorobenzene	antiseptic drug
stavudine Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase	2.6	1	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
mannose mannopyranose : The pyranose form of mannose.	2.41	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
dideoxyadenosine Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite.	2.6	1	0	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor
5-nitroindazole [no description available]	2.13	1	0
vidarabine adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.	2.6	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
3-deazaadenosine 3-deazaadenosine: RN given refers to parent cpd.	2.6	1	0
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	2.31	1	0	elemental mercury; zinc group element atom	neurotoxin
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.31	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
zalcitabine Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.. zalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.	2.6	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
silver chloride [no description available]	2.31	1	0	inorganic chloride; silver salt
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	2.13	1	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
aluminum sulfate aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.	2.04	1	0	aluminium sulfate
cadmium chloride Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.	2.21	1	0	cadmium coordination entity
ancitabine Ancitabine: Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action.. ancitabine : An organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action.	2.6	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
chloropyramine chloropyramine: RN given refers to parent cpd; structure	2.6	1	0	aminopyridine
coformycin [no description available]	3.41	1	0	coformycins	EC 3.5.4.4 (adenosine deaminase) inhibitor
levamisole Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). levamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine.	2.6	1	0	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
n'-nitrosonornicotine N'-nitrosonornicotine: structure; a potent carcinogen in laboratory animals	2.6	1	0	pyridines; pyrrolidines
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	2.6	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	6.23	4	3	benzenes; phenyl acetates
triamcinolone Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.	3.21	1	0	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
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.6	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
etoposide [no description available]	2.41	1	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
wr 171,699 [no description available]	2.15	1	0
ribavirin Rebetron: Rebetron is tradename	2.6	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
pyridoxal phosphate [no description available]	2.6	1	0	pyridinecarbaldehyde
pirfenidone pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.	2.15	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
nitazoxanide nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug	2.6	1	0	benzamides; carboxylic ester
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	3.92	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
oltipraz oltipraz : A 1,2-dithiole that is 3H-1,2-dithiole-3-thione substituted at positions 4 and 5 by methyl and pyrazin-2-yl groups respectively.	2.6	1	0	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.74	3	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
fiacitabine fiacitabine: anti-herpes virus agent which also inhibits growth of certain human tumor cell lines in vitro.	2.6	1	0
salmeterol xinafoate Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.	9.48	11	3	naphthoic acid
ranolazine Ranolazine: An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS.. N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline.. ranolazine : A racemate comprising equal amounts of (R)- and (S)-ranolazine. Used for treatment of chronic angina.	2.6	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
brequinar brequinar : A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties.	2.6	1	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
imiquimod Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.	2.6	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
adefovir adefovir: inhibitor of African swine fever virus. adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).. adefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection.	2.6	1	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
cidofovir anhydrous Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.	2.6	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
celgosivir celgosivir: inhibits glycoprotein processing & the growth of HIVs	2.6	1	0
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.6	1	0	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
lamivudine [no description available]	2.6	1	0	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
valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.	2.6	1	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
zanamivir Zanamivir: A guanido-neuraminic acid that is used to inhibit NEURAMINIDASE.	2.6	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
adefovir dipivoxil bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine: structure given in first source. adefovir pivoxil : An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection.	2.6	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
emtricitabine Emtricitabine: A deoxycytidine analog and REVERSE TRANSCRIPTASE INHIBITOR with antiviral activity against HIV-1 and HEPATITIS B viruses. It is used to treat HIV INFECTIONS.. emtricitabine : An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.	2.6	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	7.11	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
octyl gallate [no description available]	2.6	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.6	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.	2.6	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
3,4-dihydro-2(1h)-quinolinone 3,4-dihydro-2(1H)-quinolinone: structure in first source	2.05	1	0	quinolines
betulinic acid [no description available]	2.76	2	0	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
arctigenin arctigenin: precursor to catechols; in many plants	2.6	1	0	lignan
baicalin [no description available]	2.6	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
plerixafor plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2. plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.	2.6	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
amprenavir [no description available]	2.6	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.	2.6	1	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	3.92	2	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.	2.6	1	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
cephalotaxine [no description available]	2.6	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound
desipramine hydrochloride desipramine hydrochloride : The hydrochloride salt of desipramine.	2.6	1	0	hydrochloride	drug allergen
mefloquine hydrochloride [no description available]	2.6	1	0	hydrochloride
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	2.07	1	0	cephalosporin	fungal metabolite
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.6	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
propazole propazole: RN given refers to parent cpd; structure	2.6	1	0	benzimidazoles
motapizone motapizone: structure given in first source	2	1	0
prulifloxacin prulifloxacin: structure given in first source	2.6	1	0	fluoroquinolone antibiotic; quinolone antibiotic
telmisartan Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.	2.6	1	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
bergenin bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure	2.6	1	0	trihydroxybenzoic acid	metabolite
7-chloro-4-hydroxyquinoline 7-chloro-4-hydroxyquinoline: structure given in first source	2.13	1	0
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.31	1	0	1,2,3-triazole
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	2.6	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	3.78	2	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide brinzolamide: an antiglaucoma agent	2.6	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone drospirenone: a progestational compound with antimineralocorticoid and antiandrogenic activity; structure given in first source	2.15	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
dipropylacetamide dipropylacetamide: structure. valpromide : A fatty amide derived from valproic acid.	2.6	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
oxprenolol hydrochloride [no description available]	2.6	1	0
opipramol hydrochloride [no description available]	2.6	1	0
moroxydine [no description available]	2.6	1	0	biguanides
thioxolone tioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.	2.6	1	0	benzoxathiole	antiseborrheic
a 75925 A 75925: has HIV antiviral & HIV type 1 protease inhibitory activity	2.13	1	0
honokiol [no description available]	2.6	1	0	biphenyls
nobiletin nobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.	2.6	1	0	methoxyflavone	antineoplastic agent; plant metabolite
lycorine lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444. lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity.	2.6	1	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
leupeptin [no description available]	2.6	1	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
tetrandrine tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity	2.6	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
calpeptin [no description available]	2.6	1	0	amino acid amide
fangchinoline [no description available]	2.6	1	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
maslinic acid (2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoria	2.6	1	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
atovaquone Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.. atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.	2.6	1	0	hydroxy-1,2-naphthoquinone
loganin [no description available]	2.6	1	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	2.13	1	0	iditol	fungal metabolite
moexipril [no description available]	2.6	1	0	peptide
aucubin [no description available]	2.6	1	0	organic molecular entity	metabolite
catalpol [no description available]	2.6	1	0	organic molecular entity	metabolite
lekoptin (S)-verapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.	2.6	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	3.56	1	1	D-glucuronic acid	algal metabolite
n-methyladenosine N-methyladenosine: is a inhibitor of cell differentiation. N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.	2.6	1	0	methyladenosine
sivelestat sivelestat: inhibitor of neutrophil elastase; structure given in first source	2.6	1	0	N-acylglycine; pivalate ester
racecadotril racecadotril: parenterally active enkephalinase inhibitor	7.07	1	0	N-acyl-amino acid
pyronaridine [no description available]	2.6	1	0	aminoquinoline
geniposide [no description available]	2.6	1	0	terpene glycoside
fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.	2.21	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
daidzin daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase. daidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).	2.6	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
tadalafil [no description available]	5.58	8	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
sophocarpine [no description available]	2.6	1	0
marimastat marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary. marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.	2.6	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
elacridar Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source	2.6	1	0
ezogabine ezogabine: structure in first source. ezogabine : A substituted aniline that is benzene-1,2,4-triamine bearing ethoxycarbonyl and 4-fluorobenzyl substituents at positions N-1 and N-4 respectively. An anticonvulsant used to treat seizures associated with epilepsy in adults.	3.19	1	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
celastrol [no description available]	2.6	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	2.6	1	0	leucine derivative
vadimezan vadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.	2.6	1	0	monocarboxylic acid; xanthones	antineoplastic agent
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	2.6	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
methotrexate [no description available]	2.21	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
umifenovir umifenovir: an antiviral agent	2.6	1	0	indolyl carboxylic acid
safinamide safinamide: short-acting inhibitor of MOA-B; FCE 26743 is (S)-isomer, FCE 28073 is (R)-isomer; structure in first source	2.6	1	0	amino acid amide
ilomastat CS 610: matrix metalloproteinase inhibitor; structure in first source. ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor	2.6	1	0	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
aspartame [no description available]	2.25	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	9.8	2	1	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
atazanavir atazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).	2.6	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
nsc-141549 [no description available]	2.15	1	0
9-(2-hydroxy-3-nonyl)adenine (2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.	3.56	2	0	EHNA	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor
9-(2-hydroxy-3-nonyl)adenine (2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.	3.41	1	0	EHNA
cox 189 lumiracoxib: a COX-2 inhibitor. lumiracoxib : An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.	2.06	1	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
cilomilast [no description available]	14.58	39	0	methoxybenzenes
moxifloxacin Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.. moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.	2.15	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
vx 497 N-3-(3-(3-methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester: structure in first source	2.6	1	0
bcx 1812 [no description available]	2.6	1	0	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
rp 73401 piclamilast: an antiasthmatic agent and phosphodiesterase 4 inhibitor; structure in first source. piclamilast : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.	5.62	13	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
moracin c [no description available]	2.07	1	0	benzofurans
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	2.6	1	0	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
(+)-rolipram (+)-rolipram : The (S)-enantiomer of rolipram.	2.02	1	0	rolipram
olmesartan olmesartan: an active metabolite of CS 866	2.6	1	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
telbivudine [no description available]	2.6	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
celastrol methyl ester celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME	2.6	1	0	carboxylic ester
resiquimod S 28463: structure given in first source	2.6	1	0	imidazoquinoline
tanshinone ii a tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source	2.6	1	0	abietane diterpenoid
anacardic acid anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor. anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities.	2.6	1	0	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
migalastat migalastat: a potent inhibitor of glycolipid biosynthesis	2.6	1	0	piperidines
sb 203580 [no description available]	2.49	2	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
erlotinib [no description available]	2.6	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
limonin [no description available]	2.6	1	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
scutellarin scutellarin: see scutellarein for aglycone. scutellarin : The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein.	2.6	1	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
moracin m moracin M: has been isolated from Morus alba L.; structure in first source	2.07	1	0	benzofurans
etravirine [no description available]	2.6	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.6	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
4-n-butylresorcinol 4-n-butylresorcinol: structure in first source	2.6	1	0	resorcinols
darunavir Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.. darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.	2.6	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
dapivirine Dapivirine: effectively prevented human immunodeficiency virus (HIV) infection in cocultures of monocyte-derived dendritic cells and T cells, representing primary targets in sexual transmission	2.6	1	0
mesembrenone mesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first source	3.35	1	0	pyrrolidines
2-amino-4-methyl-3-nitropyridine [no description available]	2.13	1	0
nsc 74859 NSC 74859: inhibits Stat3 binding activity; structure in first source. S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.	2.6	1	0	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.5	2	0
berbamine [no description available]	2.6	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
u-104 SLC-0111: a carbonic anhydrase inhibitor; structure in first source	2.6	1	0
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one [no description available]	2.6	1	0	glycoside
bortezomib [no description available]	2.76	2	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
tizoxanide tizoxanide: major metabolite of nitazoxanide; structure in first source	2.6	1	0	salicylamides
pentostatin Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.. pentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.	3.41	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	2.41	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
eriodictyol eriodictyol: structure. eriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.	2.25	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.	2.6	1	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	2.6	1	0	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
conessine conessine : A steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae.	2.6	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
saquinavir Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.	2.6	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
abacavir abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity. abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.	2.6	1	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
linezolid [no description available]	7.76	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
cephaelin cephaelin: do not confuse with cephalin of brain; after emetine this is the most important alkaloid of ipecac; protein synthesis inhibitor. cephaeline : A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.	2.6	1	0	pyridoisoquinoline
(-)-usnic acid (-)-usnic acid : The (-)-enantiomer of usnic acid.	2.6	1	0	usnic acid	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
acetylleucyl-leucyl-norleucinal acetylleucyl-leucyl-norleucinal: a proteasome inhibitor. acetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence.	2.6	1	0	aldehyde; tripeptide	cysteine protease inhibitor
vinpocetine vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation	4.99	4	0	alkaloid	geroprotector
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	3.56	1	1	cyclodextrin
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.6	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
tacrolimus Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.. tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.	2.6	1	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
lycopene [no description available]	2.6	1	0	acyclic carotene	antioxidant; plant metabolite
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	4.69	4	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
rolipram (-)-rolipram : The (R)-enantiomer of rolipram.	3.33	6	0	rolipram
bms 214662 7-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine: a farnesyltransferase inhibitor; structure in first source. BMS-214662 : A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors.	3.41	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
mesopram mesopram: a potent & selective type IV phosphodiesterase inhibitor	2.75	3	0
L-cycloserine L-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has S configuration. An antibiotic isolated from Erwinia uredovora.	2.6	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
h 89 N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source. N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.. (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.	2.83	3	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	2.25	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
artenimol [no description available]	3.27	1	0
bevirimat bevirimat: an HIV inhibitor; disrupts late step in processing HIV Major Core Protein p24, preventing the capsid precursor p25 from being converted to mature capsid p24. bevirimat : A pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems.	2.6	1	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
benzyloxycarbonylleucyl-leucyl-leucine aldehyde benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.	2.6	1	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
tenofovir tenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.	2.6	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
posaconazole [no description available]	2.6	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
gw 257406x maribavir: has antiviral activity against human cytomegalovirus	2.6	1	0
shikonin shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities	2.76	2	0	hydroxy-1,4-naphthoquinone
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide [no description available]	2.6	1	0	tropane alkaloid
cmx 001 [no description available]	2.6	1	0
amd 8664 [no description available]	2.6	1	0
bay 41-4109 BAY 41-4109: structure in first source	2.6	1	0
bay 57-1293 pritelivir: herpes simplex virus 1 helicase-primase inhibitor	2.6	1	0
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.6	1	0
isoxanthohumol isoxanthohumol: structure in first source	2.6	1	0	flavanones
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first source	2.6	1	0	aromatic ether
mecarbinate [no description available]	2.6	1	0
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	4.33	2	0	stilbene
xanthohumol xanthohumol: from hop plant, Humulus lupulus. xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.	2.25	1	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
acetyl-aspartyl-glutamyl-valyl-aspartal acetyl-aspartyl-glutamyl-valyl-aspartal: a capase inhibitor. Ac-Asp-Glu-Val-Asp-H : A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7.	2.6	1	0	tetrapeptide	protease inhibitor
amygdalin [no description available]	3.51	1	0
cyclic nucleotide phosphodiesterases, type 4 [no description available]	2.13	1	0
octotropine methylbromide octotropine methylbromide: minor descriptor (65-86); on line & INDEX MEDICUS search TROPANES (69-86); RN given refers to endo-isomer. anisotropine methylbromide : A quaternary ammonium salt resulting from the reaction of the amino group of anisotropine with methyl bromide.	2.6	1	0
ipratropium [no description available]	2.31	1	0
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	2.6	1	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	2.6	1	0
3,4'-dihydroxyflavone 3,4'-dihydroxyflavone: an antioxidant; structure in first source	2.6	1	0
ceefourin 1 ceefourin 1: inhibits multidrug resistance protein 4; structure in first source	2.31	1	0
3-(3,4-dimethoxyphenyl)propenoic acid 3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.	2.6	1	0	methoxycinnamic acid
isoferulic acid isoferulic acid: isomer of ferulic acid; structure. isoferulic acid : A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.	2.6	1	0	ferulic acids	antioxidant; biomarker; metabolite
cyclouridine cyclouridine: structure given in third source	2.6	1	0
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	3.78	2	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
zucapsaicin [no description available]	2.6	1	0	methoxybenzenes; phenols
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	2.13	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
nbd 556 [no description available]	2.6	1	0
thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.	2.6	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	8.46	1	1	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
4,5,6,7-tetrachloroindan-1,3-dione 4,5,6,7-tetrachloroindan-1,3-dione: inhibits ubiquitin C-terminal hydrolase L1	2.6	1	0
tamoxifen [no description available]	2.17	1	0	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
srpin340 SRPIN340: Serine-Arginine-Rich Protein Kinase Inhibitor	2.6	1	0
pr-619 [no description available]	2.6	1	0
p5091 P5091: inhibits ubiquitin-specific protease 7; structure in first source	2.6	1	0
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).	3.98	3	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
trovirdine trovirdine: HIV-1 reverse transcriptase inhibitor	2.6	1	0
ranitidine Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.. ranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.	2.25	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
fti 277 [no description available]	2.6	1	0
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.6	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
vicriviroc vicriviroc: structure in first source	2.6	1	0	(trifluoromethyl)benzenes
telaprevir [no description available]	3.69	2	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
tetomilast [no description available]	4.81	3	0
orlistat Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity.. orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug.	2.6	1	0	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
ly335979 [no description available]	2.13	1	0	carbopolycyclic compound
prucalopride prucalopride: a 5-HT4 agonist enterokinetic compound	2.13	1	0	benzamides
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.6	1	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
arformoterol arformoterol : An N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide in which both of the stereocentres have R configuration. The active enantiomer of formoterol, it is administered by inhalation (generally as the tartrate salt) as a direct-acting sympathomimetic and bronchodilator for the treatment of chronic obstructive pulmonary disease (any progressive respiratory disease that makes it harder to breathe over time, such as chronic bronchitis and emphysema).	2.1	1	0	N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
yya-021 YYA-021: an HIV entry inhibitor; structure in first source	2.6	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	5.18	14	0
fh535 FH535: inhibits Wnt signaling	2.25	1	0	sulfonamide
sb 415286 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source	2.6	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
sc 560 SC560 : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1.	2.06	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sitagliptin sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.	2.76	2	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
tak-220 TAK-220: structure in first source	2.6	1	0
jtk-303 [no description available]	2.6	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
nbd 557 [no description available]	2.6	1	0
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	4.29	5	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
luteolin [no description available]	2.25	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.78	3	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
5'-o-caffeoylquinic acid trans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid.	2.6	1	0	cinnamate ester; cyclitol carboxylic acid	plant metabolite
luteolin-7-glucoside luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum. luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.6	1	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
cyclosporine [no description available]	2.6	1	0
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	2.15	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
kaempferol [no description available]	2.25	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	2.6	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
pulmicort Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.	6.33	6	1	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
eprosartan eprosartan: angiotensin II receptor antagonist. eprosartan : A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.	2.6	1	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast montelukast: a leukotriene D4 receptor antagonist	6.42	5	3	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.	2.6	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone entacapone: structure given in first source. entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.	2.6	1	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
amentoflavone [no description available]	2.6	1	0	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite
baicalein [no description available]	2.6	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
galangin 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.	2.25	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
genkwanin genkwanin: structure. genkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated.	2.6	1	0	dihydroxyflavone; monomethoxyflavone	metabolite
hyperoside quercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.	2.6	1	0	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.	2.76	2	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
3-methylquercetin isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group.	2.6	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
kaempferide kaempferide: structure in first source. kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol.	2.76	2	0	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite
morin morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.	2.25	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
orientin orientin: structure given in first source; RN given refers to the (D-glucopyranosyl)-isomer. orientin : A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8.	2.6	1	0	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite
scutellarein scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein. scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.	2.76	2	0	tetrahydroxyflavone	metabolite
wogonin wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.	2.25	1	0	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
daidzein [no description available]	2.25	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
trans-2,3',4,5'-tetrahydroxystilbene trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol	2.6	1	0	stilbenoid
polydatin trans-piceid : A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue.	2.6	1	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
chicoric acid chicoric acid: inhibits HIV-1 integrase	2.6	1	0	organooxygen compound	geroprotector; HIV-1 integrase inhibitor
acteoside acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae). acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.	2.6	1	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
pitavastatin pitavastatin : A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.	2.13	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
terbinafine hydrochloride terbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.	2.15	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
dorzolamide dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer. dorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.	2.6	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
nalmefene nalmefene: RN given refers to 5-alpha isomer	2.13	1	0	morphinane alkaloid
topiramate Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.. topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.	2.6	1	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
calcipotriene [no description available]	2.41	1	0	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide [no description available]	3.12	1	0	benzamides
fluticasone Fluticasone: A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS.. fluticasone : A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.	9.58	7	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
benzyloxycarbonyl-phe-ala-fluormethylketone cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).	2.6	1	0
iloprost Iloprost: An eicosanoid, derived from the cyclooxygenase pathway of arachidonic acid metabolism. It is a stable and synthetic analog of EPOPROSTENOL, but with a longer half-life than the parent compound. Its actions are similar to prostacyclin. Iloprost produces vasodilation and inhibits platelet aggregation.. iloprost : A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension.	2.45	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester DAPT : A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A gamma-secretase inhibitor.	2.6	1	0	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
casticin casticin: from fruit of Vitex rotundifolia; structure in second source. casticin : A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii.	2.6	1	0	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite
licochalcone a licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer	2.25	1	0	chalcones
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix. oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6.	2.6	1	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucopyranoside: Tyrosinase inhibitor from Polygonum multiflorum; structure in first source. (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside : A stilbenoid that is trans-stilbene which has been substituted by hydroxy groups at positions 2, 3, 5, and 4', and in which the hydroxy group at positon 2 has then been converted to the corresponding the beta-D-glucoside.	2.6	1	0	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor
fluvoxamine Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.. fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.	8.42	1	1	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
tyrphostin ag 555 [no description available]	2.6	1	0
nifuroxazide nifuroxazide: structure	2.25	1	0	benzoic acids
pd 151746 [no description available]	2.6	1	0
lisinopril Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.	3.92	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
verteporfin (2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid : The 2(1),2(2),17-trimethyl ester of (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid.	2.6	1	0
batimastat batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor. batimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.	2.6	1	0	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
indinavir sulfate Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.	2.6	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.02	1	0	cysteinium	fundamental metabolite
dextromethorphan hydrobromide dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan.	2.15	1	0	hydrate; hydrobromide
solanesol solanesol : A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer).	2.6	1	0	nonaprenol; primary alcohol	plant metabolite
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	2.6	1	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
l 685458 L 685458: a gamma-secretase inhibitor; structure in first source. L-685,458 : A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere, 2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease.	2.6	1	0	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic
tiotropium bromide Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE.. tiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.	10.35	12	3
tiotropium tiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.	2.31	1	0
baohuoside i baohuoside I: structure given in first source; isolated from the herb Epimedium davidii	2.13	1	0	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite
bms 806 BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002	2.6	1	0
9-Hydroxycalabaxanthone [no description available]	2.25	1	0	xanthones
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone [no description available]	2.6	1	0
tulobuterol hydrochloride [no description available]	2.6	1	0	organic molecular entity
salubrinal salubrinal: prevents dephosphorylation of eIF2alpha; structure in first source. salubrinal : A member of the class of quinolines that is a mixed aminal resulting from the formal condensation oftrichloroacetaldehyde with the amide nitrogen of trans-cinnamamide and the primary amino group of 1-quinolin-8-ylthiourea. It is a selective inhibitor of cellular complexes that dephosphorylate eukaryotic translation initiation factor 2 subunit alpha (eIF2alpha).	2.6	1	0	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas
bay 19-8004 BAY 19-8004: a PDE4 inhibitor; structure in first source	2.06	1	0
germacrone germacrone: isolated from Curcuma wenyujin	2.6	1	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid (2E,4E,6E,10E)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid: an acyclic retinoid that suppresses hepatocellular carcinoma recurrence; structure in first source	2.6	1	0
lithospermic acid [no description available]	2.6	1	0
laq824 LAQ824: Histone deacetylase inhibitor	2.6	1	0
ekb 569 EKB 569: an EGF receptor kinase inhibitor	2.6	1	0	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor
rilpivirine [no description available]	2.6	1	0	aminopyrimidine; nitrile	EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [no description available]	2.6	1	0	germacranolide
4,5-di-O-caffeoylquinic acid [no description available]	2.6	1	0	quinic acid
indigo carmine 3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source. 3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities.	2.6	1	0
verlukast verlukast: LTD4 receptor antagonist	2.13	1	0
nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.	3.19	1	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
ym 976 YM 976: a phosphodiesterase type 4 inhibitor; structure in first source	2.25	1	0	pyrimidines
ik 682 IK 682: inhibits TNF-alpha converting enzyme; structure in first source	3.41	1	0	hydroxamic acid; pyrrolidin-2-ones; quinolines
artesunate artesunic acid: RN given for (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,(2aR*))-isomer; succinic ester of artemether	2.6	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
ciclesonide ciclesonide: nasal spray approved for seasonal and perennial allergic rhinitis	8.56	1	1	organic molecular entity
vilazodone hydrochloride [no description available]	2.07	1	0	hydrochloride	antidepressant; serotonergic agonist; serotonin uptake inhibitor
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [no description available]	2.6	1	0	oligopeptide
awd 12-281 AWD 12-281: phosphodiesterase 4 inhibitor	4.32	3	0
vildagliptin [no description available]	2.6	1	0	amino acid amide
indacaterol indacaterol: a beta2 adrenoceptor agonist; indacaterol is the (R)-isomer; structure in first source. indacaterol : A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease.	5.9	9	0	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
belinostat [no description available]	2.6	1	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42 HDAC-42: structure in first source	2.6	1	0	amidobenzoic acid
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	2.6	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
gs-7340 tenofovir alafenamide: component of Biktarvy. tenofovir alafenamide : An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection.	2.6	1	0	6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
iniparib [no description available]	2.6	1	0	carbonyl compound; organohalogen compound
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide [no description available]	2.6	1	0
pri-2205 [no description available]	2.6	1	0
mk 0752 [no description available]	2.6	1	0
givinostat [no description available]	2.6	1	0	carbamate ester
pd 144418 [no description available]	2.6	1	0
bicyclol bicyclol: an antihepatitis drug, on the metabolism and hepatotoxicity of aflatoxin B1 (AFB1) in rats.	2.6	1	0
gsk 256066 [no description available]	4.83	5	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	2.6	1	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
rs 25344 RS 25344: inhibits phosphodiesterase PDE-4D3; structure given in first source	2.49	2	0
ly 450139 [no description available]	2.6	1	0	peptide
l-454,560 L-454,560: Phosphodiesterase Inhibitor; structure in first source	2.45	2	0
fluticasone furoate fluticasone furoate: a glucocorticoid; structure in first source. fluticasone furoate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease.	2.13	1	0	11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester	anti-allergic agent; anti-asthmatic drug; prodrug
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	3.18	5	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
cx 659s CX 659S: structure in first source	3.12	1	0
rivaroxaban Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.. rivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.	2.6	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compound SB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first source	2.6	1	0	aromatic ether
ginsenoside rb1 [no description available]	2.6	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
ic 87114 IC 87114: structure in first source	2.49	2	0	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	3.76	2	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
rucaparib AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	2.6	1	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
rpl 554 ensifentrine: a phosphodiesterase 3/4 inhibitor; structure in first source	4.29	2	0
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- [no description available]	2.6	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
roflumilast n-oxide roflumilast N-oxide: an oral, once-daily phosphodiesterase 4 inhibitor; active metabolite of roflumilast	9.25	30	9
tak-715 N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first source	2.15	1	0	benzamides
cetilistat cetilistat: lipase inhibitor in randomized, placebo-controlled study of weight reduction in obese patients (3/2007)	2.6	1	0	benzoxazine
ym 201636 6-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first source	2.6	1	0	aromatic amide
linagliptin Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS.. linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.	2.57	2	0	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
azd 6244 AZD 6244: a MEK inhibitor	2.6	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
odanacatib odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source	2.6	1	0
apilimod [no description available]	2.6	1	0
apixaban [no description available]	2.6	1	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
vilanterol [no description available]	3.21	1	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
betrixaban betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source. betrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.	2.6	1	0	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban edoxaban : A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.	2.6	1	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
saracatinib [no description available]	2.6	1	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection.	2.6	1	0
ko 143 [no description available]	2.15	1	0	beta-carbolines; tert-butyl ester
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide boceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.	2.6	1	0	tripeptide; ureas	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
ly 411575 [no description available]	2.6	1	0	dibenzoazepine; difluorobenzene; lactam; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor
galidesivir [no description available]	2.6	1	0
volasertib BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source	2.13	1	0
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	2.6	1	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.49	2	0
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.6	1	0
epoxomicin [no description available]	2.6	1	0	morpholines; tripeptide	proteasome inhibitor
lurasidone hydrochloride Lurasidone Hydrochloride: A thiazole derivative and atypical ANTIPSYCHOTIC AGENT that functions as a DOPAMINE D2 RECEPTOR ANTAGONIST; SEROTONIN 5-HT2 RECEPTOR ANTAGONIST, serotonin 5-HT7 receptor antagonist, and antagonist of the adrenergic α2A and α2C receptors, as well as a partial SEROTONIN 5-HT1A RECEPTOR AGONIST. It is used in the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER.. lurasidone hydrochloride : A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia.	2.07	1	0	hydrochloride	adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
bms 477118 [no description available]	2.6	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
pha 680632 PHA 680632: Aurora kinase inhibitor with potent antitumoral activity; structure in first source	2.6	1	0
tmc 353121 [no description available]	2.6	1	0
amd 070 mavorixafor: a derivative of AMD3100; a CXCR4 blocker	2.6	1	0	aminoquinoline
danoprevir [no description available]	2.6	1	0
bms-626529 [no description available]	2.6	1	0
bms-663068 fostemsavir: an HIV-1 attachment inhibitor; structure in first source	2.6	1	0
oglemilast oglemilast: a PDE4 inhibitor and NSAID; no further info available 1/2006	2.13	1	0
amenamevir ASP2151: a herpesvirus helicase-primase inhibitor, in a guinea pig model of genital herpes; structure in first source	2.6	1	0
vx 765 belnacasan: a NSAID	2.6	1	0	dipeptide
Dihydrotanshinone I dihydrotanshinone I: extracted from Radix Salviae	2.6	1	0	abietane diterpenoid	anticoronaviral agent
alogliptin alogliptin: structure in first source. alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.	2.6	1	0	nitrile; piperidines; primary amino compound; pyrimidines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
fr 180204 FR 180204: structure in first source	2.6	1	0	pyrazoles; ring assembly
quisinostat [no description available]	2.6	1	0	indoles
carfilzomib [no description available]	2.6	1	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
hcv 796 HCV 796: inhibits HCV RdRp; structure in first source	2.6	1	0
apremilast [no description available]	7.14	12	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
pf-2545920 [no description available]	3.51	1	0
resminostat resminostat: a histone deacetylase inhibitor; structure in first source	2.6	1	0
incb3619 INCB3619: ADAM inhibitor; structure in first source	3.41	1	0
zk 756326 2-(2-(4-(3-phenoxybenzyl)piperazin-1-yl)ethoxy)ethanol: a CC chemokine receptor CCR8 agonist; structure in first source	2.6	1	0	aromatic ether
balapiravir balapiravir: a prodrug of R1479; structure in first source	2.6	1	0
trametinib [no description available]	2.6	1	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
deoxyarbutin 4-((tetrahydro-2H-pyran-2-yl)oxy)phenol: has antineoplastic activity; structure in first source	2.6	1	0
abexinostat abexinostat: structure in first source	2.6	1	0	benzofurans
silvestrol silvestrol: isolated from the fruit and twig of Aglaia silvestris. silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity.	2.6	1	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
td-5108 TD-5108: a selective 5-HT(4) receptor agonist with high intrinsic activity; structure in first source	2.13	1	0
narlaprevir narlaprevir: an antiviral agent that inhibits hepatitis C virus NS3 protease. narlaprevir : An azabicyclohexane that is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane substituted by [(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]aminoacyl and N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl groups at positions 2S and 3, respectively. It is a hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 6 nM) that is used for the treatment of chronic hepatitis C.	2.6	1	0	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor
teneligliptin [no description available]	2.6	1	0	amino acid amide
(2R,3S)-EHNA hydrochloride (2R,3S)-EHNA hydrochloride : A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.	3.51	1	0	hydrochloride	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor
dextrothyroxine [no description available]	2.6	1	0
veliparib [no description available]	2.6	1	0	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
scopolamine hydrobromide [no description available]	2.13	1	0
pituitrin Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR).	2.15	1	0
pf 03491390 [no description available]	2.6	1	0
alloin [no description available]	2.6	1	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
mdv 3100 [no description available]	2.6	1	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
bms-650032 asunaprevir: an NS3 protease inhibitor against hepatitis C virus	2.6	1	0	oligopeptide
e 7050 [no description available]	2.13	1	0	aromatic ether
rg 7128 2'-fluoro-2'-methyl-3',5'-diisobutyryldeoxycytidine: inhibits HCV polymerase; structure in first source	2.6	1	0
ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.	2.13	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
hes1 protein, human HES1 protein, human: RefSeq NM_005524	2.41	1	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	4.37	1	1	peptide hormone
liraglutide [no description available]	9.41	1	1	lipopeptide; polypeptide	glucagon-like peptide-1 receptor agonist; neuroprotective agent
glucagon-like peptide 1 Glucagon-Like Peptide 1: A peptide of 36 or 37 amino acids that is derived from PROGLUCAGON and mainly produced by the INTESTINAL L CELLS. GLP-1(1-37 or 1-36) is further N-terminally truncated resulting in GLP-1(7-37) or GLP-1-(7-36) which can be amidated. These GLP-1 peptides are known to enhance glucose-dependent INSULIN release, suppress GLUCAGON release and gastric emptying, lower BLOOD GLUCOSE, and reduce food intake.	2.07	1	0
oritavancin oritavancin : A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA.	2.6	1	0	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent
c-peptide C-Peptide: The middle segment of proinsulin that is between the N-terminal B-chain and the C-terminal A-chain. It is a pancreatic peptide of about 31 residues, depending on the species. Upon proteolytic cleavage of proinsulin, equimolar INSULIN and C-peptide are released. C-peptide immunoassay has been used to assess pancreatic beta cell function in diabetic patients with circulating insulin antibodies or exogenous insulin. Half-life of C-peptide is 30 min, almost 8 times that of insulin.	4.37	1	1
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	2.07	1	0
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2.07	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Beclomethasone: An anti-inflammatory, synthetic glucocorticoid. It is used topically as an anti-inflammatory agent and in aerosol form for the treatment of ASTHMA.. beclomethasone : A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively.	9.3	7	5	21-hydroxy steroid
vx-770 ivacaftor: a CFTR potentiator; structure in first source. ivacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis.	2.1	1	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
pevonedistat pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme). pevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.	2.6	1	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
uk 453,061 UK 453,061: a reverse transcriptase inhibitor/anti-HIV agent; structure in first source	2.6	1	0	aromatic ether
N-(2-aminophenyl)-2-pyrazinecarboxamide [no description available]	2.6	1	0	aromatic amide
alcaftadine alcaftadine : An imidazobenzazepine that is 6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine substituted at position 3 by a formyl group and at position 11 by a 1-methylpiperidin-4-ylidene group. An antihistamine used for treatment of allergic conjunctivitis.	2.07	1	0	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist
pyrazolopyridine pyrazolopyridine: act as competitive antagonists of brain adenosine A1 receptors	2.04	1	0
tegobuvir tegobuvir: a non-structural protein 5B polymerase inhibitor	2.6	1	0
pf-429242 PF-429242: a subtilisin kexin isozyme-1/site-1 protease inhibitor	2.6	1	0
olaparib [no description available]	2.6	1	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cx 4945 [no description available]	2.6	1	0
pci 34051 PCI 34051: an HDAC8 inhibitor	2.6	1	0	indolecarboxamide
lomibuvir lomibuvir: an antiviral agent with polymerase NS5 inhibitory activity	2.6	1	0	thiophenecarboxylic acid
delanzomib [no description available]	2.6	1	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
pitavastatin(1-) pitavastatin(1-) : A hydroxy monocarboxylic acid anion that is the conjugate base of pitavastatin, obtained by deprotonation of the carboxy group.	2.6	1	0	hydroxy monocarboxylic acid anion
GRL-0617 GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).	2.6	1	0	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester CAY10603: a HDAC6 inhibitor	2.6	1	0	carbamate ester
niraparib niraparib: structure in first source. niraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy.	2.6	1	0	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
jzl 184 JZL 184: inhibits monoacylglycerol lipase; structure in first source	2.6	1	0	benzodioxoles
gsk 650394 [no description available]	2.6	1	0	phenylpyridine
oprozomib ONX 0912: antineoplastic; an orally active proteasome inhibitor; structure in first source	2.6	1	0
az 960 [no description available]	2.6	1	0
cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.	2.13	1	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
golgicide a golgicide A: inhibits the cis-golgi ArfGEF GBF1; structure in first source. golgicide A : A diastereoisomeric mixture comprising racemic cis- and racemic trans-goglioside A in a 10:1 ratio. It is a potent and rapidly reversible GBF1 (Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor 1) inhibitor. The (3aS,4R,9bR) isomer is the most active (see Bioorg. Med. Chem. Lett., 2012, 22, 5177-5181).	2.6	1	0	diastereoisomeric mixture	cis-Golgi ArfGEF GBF inhibitor
incb-018424 [no description available]	4.55	3	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cobicistat [no description available]	2.6	1	0	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor
bms-790052 daclatasvir: an HCV NS5A inhibitor. daclatasvir : A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.	2.6	1	0	biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative	antiviral drug; nonstructural protein 5A inhibitor
ixazomib ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source. ixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma.	2.6	1	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
ucph 101 2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: structure in first source	2.6	1	0
gsk 1363089 GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source	2.13	1	0	aromatic ether
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.6	1	0	aryl sulfide; thienopyrimidine
baricitinib [no description available]	2.6	1	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
KOM70144 KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).	2.6	1	0	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor
piperidines Piperidines: A family of hexahydropyridines.	3.99	3	0
e-52862 [no description available]	2.6	1	0
ly2811376 [no description available]	2.6	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	3.39	6	0
anagliptin anagliptin: anagliptin hydrochloride salt is the active compound	2.6	1	0	amino acid amide
an2728 crisaborole: NSAID, Dermatologic Agent; structure in first source. crisaborole : A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.	5.34	5	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
gardiquimod [no description available]	2.6	1	0
grazoprevir grazoprevir: has antiviral activity; component of Zepatier. grazoprevir : An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	2.6	1	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
n6022 N6022: inhibits S-nitrosoglutathione reductase; structure in first source	2.17	1	0
abt-450 paritaprevir: inhibits HCV NS3 protease. paritaprevir : An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0
letermovir letermovir: has antiviral activity; structure in first source	2.6	1	0
sofosbuvir Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.. sofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	2.6	1	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine sapanisertib: an mTOR inhibitor	2.6	1	0	benzoxazole
blz 945 [no description available]	2.6	1	0
azd3839 AZD3839: a BACE1 inhibitor; structure in first source	2.6	1	0
pf 3084014 nirogacestat: an antineoplastic agent. nirogacestat : A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment.	2.6	1	0
unc 0638 UNC 0638: inhibits lysine methyltransferases G9a and GLP; structure in first source	2.6	1	0	quinazolines
gs-9620 [no description available]	2.6	1	0
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide N-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide: structure in first source	2.6	1	0
bms 708163 BMS 708163: structure in first source	2.6	1	0	oxadiazole; ring assembly
jq1 compound [no description available]	2.6	1	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone: a USP7 inhibitor; structure in first source	2.6	1	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	2.6	1	0	benzodiazepine
ML240 ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).	2.6	1	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.6	1	0	dipeptide
ly2886721 [no description available]	2.6	1	0
nms-p118 NMS-P118: a PARP-1 inhibitor; structure in first source	2.6	1	0
tubastatin a [no description available]	2.6	1	0	hydroxamic acid; pyridoindole; tertiary amino compound	EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat pracinostat : A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours.	2.6	1	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
spautin-1 [no description available]	2.6	1	0
ldn 57444 LDN 57444: inhibitor of ubiquitin C-terminal hydrolase-L1; structure in first source	2.6	1	0
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	2.6	1	0	imidazoquinoline
i-bet726 [no description available]	2.6	1	0
acy-1215 ricolinostat: an HDAC6 inhibitor; structure in first source	2.6	1	0	pyrimidinecarboxylic acid
cudc-907 [no description available]	2.6	1	0
dcc-2701 DCC-2701: inhibits c-Met protein, TIE-2 protein, and vascular endothelial growth factor receptor	2.13	1	0
piroxicam [no description available]	2.21	1	0	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
mobic Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.. meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis.	2.76	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	8.45	1	1	benzenes; hydroxycoumarin; methyl ketone
tipranavir tipranavir: inhibits HIV-1 protease. tipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.	2.6	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
tasquinimod tasquinimod: a lead second generation quinoline-3-carboxamide anti-angiogenic agent for the treatment of prostate cancer; structure in first source	3.92	2	0
gsk1265744 [no description available]	2.6	1	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
abt-267 ombitasvir: inhibits HCV NS5A protein, component of Viekirax. ombitasvir : A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0	aromatic amide; carbamate ester; dipeptide; pyrrolidines	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
abt-333 dasabuvir: an antiviral agent. dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor
rgfp966 [no description available]	2.6	1	0
rg2833 RG2833: a histone deacetylase inhibitor; structure in first source	2.6	1	0
budesonide, formoterol fumarate drug combination Budesonide, Formoterol Fumarate Drug Combination: A pharmaceutical preparation of budesonide and formoterol fumarate that is used as an ANTI-ASTHMATIC AGENT and for the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE.	3.51	1	1
fluticasone propionate, salmeterol xinafoate drug combination Fluticasone-Salmeterol Drug Combination: A drug combination of fluticasone and salmeterol that is used as an inhaler formulation to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.	5.01	2	1
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	2.55	2	0
pi-1840 PI-1840: has both antineoplastic and proteasome inhibitory activities; structure in first source	2.6	1	0
acy-738 [no description available]	2.6	1	0
pelabresib CPI-0610: a bromodomain and extra-terminal protein inhibitor with antineoplastic activity; structure in first source	2.6	1	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
d159687 [no description available]	3.27	1	0
gs-5806 presatovir: a respiratory syncytial virus entry inhibitor	2.6	1	0
doravirine [no description available]	2.6	1	0
gn6958 GN6958: inhibits SUMO-sentrin specific protease 1 (SENP1); structure in first source	2.6	1	0
vx-787 pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs	2.6	1	0
ledipasvir ledipasvir : A benzimidazole derivative that is used in combination with sofosbuvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	2.6	1	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
gs-5816 velpatasvir: an NS5A inhibitor used for treating hepatitis C infections. velpatasvir : A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes.	2.6	1	0	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.6	1	0
chf6001 tanimilast: a phosphodiesterase-4 inhibitor; structure in first source	9.55	3	0
(r)-pfi-2 (R)-PFI-2: a potent and selective inhibitor of SETD7 methyltransferase; structure in first source	2.25	1	0
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide 4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source	2.6	1	0
selinexor selinexor: inhibits karyopherin XPO1	2.6	1	0
verdinexor verdinexor: a selective inhibitor of nuclear export	2.6	1	0
cb-839 [no description available]	2.6	1	0
mk-8742 elbasvir: inhibits NS5A protein of hepatitis C virus. elbasvir : A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	2.6	1	0	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent
atglistatin atglistatin: inhibits adipose triglyceride lipase; structure in first source. atglistatin : A biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM).	2.6	1	0
xen445 [no description available]	2.6	1	0
santacruzamate a santacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first source	2.6	1	0	organonitrogen compound; organooxygen compound
ldc4297 LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source. LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.	2.6	1	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
enasidenib [no description available]	2.6	1	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
adrenomedullin Adrenomedullin: A 52-amino acid peptide with multi-functions. It was originally isolated from PHEOCHROMOCYTOMA and ADRENAL MEDULLA but is widely distributed throughout the body including lung and kidney tissues. Besides controlling fluid-electrolyte homeostasis, adrenomedullin is a potent vasodilator and can inhibit pituitary ACTH secretion.	2.25	1	0
s 8932 [no description available]	2.6	1	0	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug
thromboplastin Thromboplastin: Constituent composed of protein and phospholipid that is widely distributed in many tissues. It serves as a cofactor with factor VIIa to activate factor X in the extrinsic pathway of blood coagulation.	2.13	1	0
entecavir entecavir (anhydrous) : Guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. It is used for the treatment of chronic hepatitis B.	2.6	1	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	2.76	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
nu 1025 NU 1064: structure in first source	2.6	1	0	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.	3.62	2	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	2.05	1	0	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
didanosine Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.. didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.	2.6	1	0	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]	2.6	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valacyclovir Valacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.	2.6	1	0	L-valyl ester	antiviral drug
sildenafil sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.	5.67	7	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
penciclovir penciclovir : A member of the class of 2-aminopurines that is guanine in which the hydrogen at position 9 is substituted by a 4-hydroxy-3-(hydroxymethyl)but-1-yl group. An antiviral drug, it is administered topically for treatment of herpes labialis. A prodrug, famciclovir, is used for oral administration.	2.6	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
zaprinast zaprinast: anaphylaxis inhibitor; structure	4.1	2	0	triazolopyrimidines
vardenafil vardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.	4.35	3	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
2-methyl-4(3h)-quinazolinone 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source	2.13	1	0
4-hydroxyquinazoline 4-oxo-3,4-dihydroquinazoline: structure in first source	2.63	2	0	quinazolines
tegaserod tegaserod: a nonbenzamide 5-hydroxytryptamine(4) agonist; used in treatment of irritable bowel syndrome; marketing suspended 2007 in US due to higher incidence of MI, stroke, and unstable angina; structure given in first source	2.6	1	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
norclozapine norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.	2.6	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
tak 491 azilsartan medoxomil: an azilsartan prodrug and angiotensin II type 1 receptor blocker. azilsartan medoxomil : A carboxylic ester obtained by formal condensation of the carboxy group of azilsartan with the hydroxy group of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one. A prodrug for azilsartan, it is used for treatment of hypertension.	2.07	1	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug
pemetrexed pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).	2.6	1	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
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.21	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
aprepitant Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.	3.59	2	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
vardenafil dihydrochloride Vardenafil Dihydrochloride: A piperazine derivative, PHOSPHODIESTERASE 5 INHIBITOR and VASODILATOR AGENT that is used as a UROLOGICAL AGENT in the treatment of ERECTILE DYSFUNCTION.	2.61	2	0
azilsartan azilsartan: an angiotensin type 1 receptor blocker; receptor blocker. azilsartan : A benzimidazolecarboxylic acid that is benzimidazole-7-carboxylic acid substituted at position 2 by a methoxy group and at position 1 by a 2'-[(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl group. Used (as the prodrug, azilsartan medoxomil) for treatment of hypertension.	2.6	1	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent
hesperadin [no description available]	2.6	1	0
6-bromoindirubin-3'-acetoxime 6-bromoindirubin-3'-acetoxime: a synthetic derivative of a compound from the Mediterranean mollusk Hexaplex trunculus, protects cells from varicella infection	2.6	1	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.6	1	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
bay 73-6691 BAY 73-6691: potent and selective inhibitor of phosphodiesterase 9; structure in first source	2.57	2	0
6-((3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one [no description available]	3.51	1	0
XL413 XL413 : A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties.	2.6	1	0	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bay 60-7550 [no description available]	4.64	4	0
me0328 ME0328: inhibits ARTD3; structure in first source	2.6	1	0
nvp-tnks656 [no description available]	2.6	1	0
phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes.	2.01	1	0
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	2.13	1	0
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	3.78	2	0

Condition	Indicated	Relationship Strength	Studies	Trials
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	7.58	74	0
Emesis [description not available]	0	7.57	11	1
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	0	7.57	11	1
Dry Eye [description not available]	0	2.05	1	0
Dry Eye Syndromes Corneal and conjunctival dryness due to deficient tear production, predominantly in menopausal and post-menopausal women. Filamentary keratitis or erosion of the conjunctival and corneal epithelium may be caused by these disorders. Sensation of the presence of a foreign body in the eye and burning of the eyes may occur.	0	2.05	1	0
Airflow Obstruction, Chronic [description not available]	0	22.78	287	93
Asthma, Bronchial [description not available]	0	16.53	61	25
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	1	18.53	61	25
Pulmonary Disease, Chronic Obstructive A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.	1	24.78	287	93
African Sleeping Sickness [description not available]	0	2.06	1	0
Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.	0	2.06	1	0
Disease, Pulmonary [description not available]	0	5.28	8	0
Lung Diseases Pathological processes involving any part of the LUNG.	0	5.28	8	0
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	0	2.58	2	0
Chronic Illness [description not available]	0	6.3	12	1
Innate Inflammatory Response [description not available]	0	10.82	43	2
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	0	6.3	12	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	10.82	43	2
Acute Confusional Senile Dementia [description not available]	0	5.25	9	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	0	5.25	9	0
Benign Neoplasms [description not available]	0	3.09	1	0
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	1	5.09	1	0
Polyarthritis [description not available]	0	3.46	2	0
Allergic Encephalomyelitis [description not available]	0	2.21	1	0
MS (Multiple Sclerosis) [description not available]	0	2.21	1	0
Arthritis Acute or chronic inflammation of JOINTS.	0	3.46	2	0
Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903)	0	2.21	1	0
Palmoplantaris Pustulosis [description not available]	0	13.95	38	6
Psoriasis A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.	1	15.95	38	6
Acute Onset Vascular Dementia [description not available]	0	2.25	1	0
Dementia, Vascular An imprecise term referring to dementia associated with CEREBROVASCULAR DISORDERS, including CEREBRAL INFARCTION (single or multiple), and conditions associated with chronic BRAIN ISCHEMIA. Diffuse, cortical, and subcortical subtypes have been described. (From Gerontol Geriatr 1998 Feb;31(1):36-44)	0	2.25	1	0
Allergic Reaction [description not available]	0	3.7	3	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	0	3.7	3	0
Eczema, Atopic [description not available]	0	6.49	6	1
Dermatitis, Atopic A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema.	1	8.49	6	1
Congenital Zika Syndrome [description not available]	0	2.25	1	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	2.25	1	0
Fatty Liver, Nonalcoholic [description not available]	0	2.98	3	0
Blood Pressure, High [description not available]	0	2.85	3	0
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	0	2.85	3	0
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	1	4.98	3	0
Recrudescence [description not available]	0	3.86	3	0
Aphthae [description not available]	0	2.41	1	0
Stomatitis, Aphthous A recurrent disease of the oral mucosa of unknown etiology. It is characterized by small white ulcerative lesions, single or multiple, round or oval. Two to eight crops of lesions occur per year, lasting for 7 to 14 days and then heal without scarring. (From Jablonski's Dictionary of Dentistry, 1992, p742)	0	2.41	1	0
Age-Related Memory Disorders [description not available]	0	3.36	5	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	0	3.36	5	0
Muscle Relaxation That phase of a muscle twitch during which a muscle returns to a resting position.	0	2.41	1	0
Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.	0	2.57	2	0
Acute Ischemic Stroke [description not available]	0	2.76	2	0
Anterior Choroidal Artery Infarction [description not available]	0	2.41	1	0
Cerebral Ischemia [description not available]	0	3.57	6	0
Injury, Ischemia-Reperfusion [description not available]	0	3.49	5	0
Ischemic Stroke Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin.	0	7.76	2	0
Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).	0	2.41	1	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	0	3.57	6	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	0	3.49	5	0
Diabetes Mellitus, Adult-Onset [description not available]	0	6.07	5	2
Cardiac Diseases [description not available]	0	2.41	1	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	0	2.41	1	0
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	1	8.07	5	2
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	0	2.41	1	0
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	0	2.41	1	0
Dermatitis, Eczematous [description not available]	0	2.41	1	0
Eczema A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed).	0	2.41	1	0
Spermatic Cord Torsion The twisting of the SPERMATIC CORD due to an anatomical abnormality that left the TESTIS mobile and dangling in the SCROTUM. The initial effect of testicular torsion is obstruction of venous return. Depending on the duration and degree of cord rotation, testicular symptoms range from EDEMA to interrupted arterial flow and testicular pain. If blood flow to testis is absent for 4 to 6 h, SPERMATOGENESIS may be permanently lost.	0	2.41	1	0
Cognitive Decline [description not available]	0	6.88	10	2
Inadequate Sleep [description not available]	0	3.07	3	0
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	0	6.88	10	2
Acne Inversa [description not available]	0	2.41	1	0
Hidradenitis Suppurativa A chronic suppurative and cicatricial disease of the apocrine glands occurring chiefly in the axillae in women and in the groin and anal regions in men. It is characterized by poral occlusion with secondary bacterial infection, evolving into abscesses which eventually rupture. As the disease becomes chronic, ulcers appear, sinus tracts enlarge, fistulas develop, and fibrosis and scarring become evident.	0	7.41	1	0
Disease Exacerbation [description not available]	0	18.35	32	10
Bilateral Headache [description not available]	0	6.32	4	2
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	0	10.11	11	4
Headache The symptom of PAIN in the cranial region. It may be an isolated benign occurrence or manifestation of a wide variety of HEADACHE DISORDERS.	0	6.32	4	2
Bowel Diseases, Inflammatory [description not available]	0	4.17	3	0
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	0	4.17	3	0
Itching [description not available]	0	7.8	6	2
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	0	7.8	6	2
Infection, Toxoplasma gondii [description not available]	0	2.41	1	0
Toxoplasmosis The acquired form of infection by Toxoplasma gondii in animals and man.	0	2.41	1	0
Autoimmune Diabetes [description not available]	0	4.21	9	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	0	4.21	9	0
Diabetes Mellitus, Type 1 A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.	0	4.21	9	0
Amnesia-Memory Loss [description not available]	0	2.6	1	0
Amnesia Pathologic partial or complete loss of the ability to recall past experiences (AMNESIA, RETROGRADE) or to form new memories (AMNESIA, ANTEROGRADE). This condition may be of organic or psychologic origin. Organic forms of amnesia are usually associated with dysfunction of the DIENCEPHALON or HIPPOCAMPUS. (From Adams et al., Principles of Neurology, 6th ed, pp426-7)	0	2.6	1	0
Cirrhosis [description not available]	0	3.93	2	0
Elevated Cholesterol [description not available]	0	2.6	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	0	3.93	2	0
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	0	2.6	1	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	0	2.72	2	0
Polycystic Ovarian Syndrome [description not available]	0	5.71	3	2
Polycystic Ovary Syndrome A complex disorder characterized by infertility, HIRSUTISM; OBESITY; and various menstrual disturbances such as OLIGOMENORRHEA; AMENORRHEA; ANOVULATION. Polycystic ovary syndrome is usually associated with bilateral enlarged ovaries studded with atretic follicles, not with cysts. The term, polycystic ovary, is misleading.	0	5.71	3	2
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	0	5.88	4	2
Idiopathic Parkinson Disease [description not available]	0	3.01	2	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	0	3.01	2	0
Lichen Ruber Planus [description not available]	0	2.6	1	0
Lichen Planus An inflammatory, pruritic disease of the skin and mucous membranes, which can be either generalized or localized. It is characterized by distinctive purplish, flat-topped papules having a predilection for the trunk and flexor surfaces. The lesions may be discrete or coalesce to form plaques. Histologically, there is a saw-tooth pattern of epidermal hyperplasia and vacuolar alteration of the basal layer of the epidermis along with an intense upper dermal inflammatory infiltrate composed predominantly of T-cells. Etiology is unknown.	0	7.6	1	0
Lichen Planus, Oral Oral lesions accompanying cutaneous lichen planus or often occurring alone. The buccal mucosa, lips, gingivae, floor of the mouth, and palate are usually affected (in a descending order of frequency). Typically, oral lesions consist of radiating white or gray, velvety, threadlike lines, arranged in a reticular pattern, at the intersection of which there may be minute, white, elevated dots or streaks (Wickham's striae). (Jablonski, Illustrated Dictionary of Dentistry)	0	2.6	1	0
Amentia [description not available]	0	2.6	1	0
Dementia An acquired organic mental disorder with loss of intellectual abilities of sufficient severity to interfere with social or occupational functioning. The dysfunction is multifaceted and involves memory, behavior, personality, judgment, attention, spatial relations, language, abstract thought, and other executive functions. The intellectual decline is usually progressive, and initially spares the level of consciousness.	1	4.6	1	0
Anterior Circulation Transient Ischemic Attack [description not available]	0	2.82	2	0
Ischemic Attack, Transient Brief reversible episodes of focal, nonconvulsive ischemic dysfunction of the brain having a duration of less than 24 hours, and usually less than one hour, caused by transient thrombotic or embolic blood vessel occlusion or stenosis. Events may be classified by arterial distribution, temporal pattern, or etiology (e.g., embolic vs. thrombotic). (From Adams et al., Principles of Neurology, 6th ed, pp814-6)	0	2.82	2	0
Bilharziasis [description not available]	0	2.6	1	0
Schistosomiasis Infection with flukes (trematodes) of the genus SCHISTOSOMA. Three species produce the most frequent clinical diseases: SCHISTOSOMA HAEMATOBIUM (endemic in Africa and the Middle East), SCHISTOSOMA MANSONI (in Egypt, northern and southern Africa, some West Indies islands, northern 2/3 of South America), and SCHISTOSOMA JAPONICUM (in Japan, China, the Philippines, Celebes, Thailand, Laos). S. mansoni is often seen in Puerto Ricans living in the United States.	0	2.6	1	0
Chronic Kidney Diseases [description not available]	0	3.01	2	0
Alloxan Diabetes [description not available]	0	3.07	3	0
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	0	3.01	2	0
Dermatitis Seborrheica [description not available]	0	3.99	1	1
Dermatitis, Seborrheic A chronic inflammatory disease of the skin with unknown etiology. It is characterized by moderate ERYTHEMA, dry, moist, or greasy (SEBACEOUS GLAND) scaling and yellow crusted patches on various areas, especially the scalp, that exfoliate as dandruff. Seborrheic dermatitis is common in children and adolescents with HIV INFECTIONS.	0	3.99	1	1
Adamantiades-Behcet Disease [description not available]	0	2.6	1	0
Behcet Syndrome Rare chronic inflammatory disease involving the small blood vessels. It is of unknown etiology and characterized by mucocutaneous ulceration in the mouth and genital region and uveitis with hypopyon. The neuro-ocular form may cause blindness and death. SYNOVITIS; THROMBOPHLEBITIS; gastrointestinal ulcerations; RETINAL VASCULITIS; and OPTIC ATROPHY may occur as well.	0	2.6	1	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	0	7.76	2	0
Diabetic Glomerulosclerosis [description not available]	0	2.59	2	0
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	1	4.59	2	0
Cardiac Rupture, Traumatic [description not available]	0	2.6	1	0
Cryptogenic Fibrosing Alveolitis [description not available]	0	4.04	2	0
Idiopathic Pulmonary Fibrosis A common interstitial lung disease of unknown etiology, usually occurring between 50-70 years of age. Clinically, it is characterized by an insidious onset of breathlessness with exertion and a nonproductive cough, leading to progressive DYSPNEA. Pathological features show scant interstitial inflammation, patchy collagen fibrosis, prominent fibroblast proliferation foci, and microscopic honeycomb change.	0	4.04	2	0
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	0	7.6	1	0
Infections, Staphylococcal [description not available]	0	2.25	1	0
Empyema, Thoracic [description not available]	0	2.25	1	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	0	2.25	1	0
Empyema, Pleural Suppurative inflammation of the pleural space.	0	2.25	1	0
Blood Poisoning [description not available]	0	3.35	5	0
Acute Kidney Failure [description not available]	0	2.72	2	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	3.35	5	0
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	0	2.72	2	0
Cancer of Colon [description not available]	0	2.25	1	0
Condition, Preneoplastic [description not available]	0	2.25	1	0
Colonic Neoplasms Tumors or cancer of the COLON.	0	2.25	1	0
Precancerous Conditions Pathological conditions that tend eventually to become malignant.	0	2.25	1	0
Neurogenic Inflammation Inflammation caused by an injurious stimulus of peripheral neurons and resulting in release of neuropeptides which affect vascular permeability and help initiate proinflammatory and immune reactions at the site of injury.	0	2.25	1	0
Agnosia Loss of the ability to comprehend the meaning or recognize the importance of various forms of stimulation that cannot be attributed to impairment of a primary sensory modality. Tactile agnosia is characterized by an inability to perceive the shape and nature of an object by touch alone, despite unimpaired sensation to light touch, position, and other primary sensory modalities.	0	2.25	1	0
Injuries, Spinal Cord [description not available]	0	2.25	1	0
Locomotor Ataxia [description not available]	0	2.25	1	0
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	0	2.25	1	0
Gastric Stasis [description not available]	0	2.25	1	0
Gastroparesis Chronic delayed gastric emptying. Gastroparesis may be caused by motor dysfunction or paralysis of STOMACH muscles or may be associated with other systemic diseases such as DIABETES MELLITUS.	0	2.25	1	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	3.19	5	0
Dementia Praecox [description not available]	0	6.23	3	3
Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.	1	8.23	3	3
Cytokine Release Syndrome A severe immune reaction characterized by excessive release of CYTOKINES. Symptoms include DYSPNEA; FEVER; HEADACHE; HYPOTENSION; NAUSEA; RASH; TACHYCARDIA; HYPOXIA; HYPERFERRITINEMIA, and MULTIPLE ORGAN FAILURE. It is associated with viral infections, SEPSIS; AUTOIMMUNE DISEASES and a variety of factors used in IMMUNOTHERAPY.	0	2.25	1	0
2019 Novel Coronavirus Disease [description not available]	0	3.23	1	0
Diffuse Large B-Cell Lymphoma [description not available]	0	7.93	3	0
Lymphoma, Large B-Cell, Diffuse Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation.	0	2.93	3	0
Apoplexy [description not available]	0	2.31	1	0
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	0	7.31	1	0
Akinetic-Rigid Variant of Huntington Disease [description not available]	0	2.31	1	0
Huntington Disease A familial disorder inherited as an autosomal dominant trait and characterized by the onset of progressive CHOREA and DEMENTIA in the fourth or fifth decade of life. Common initial manifestations include paranoia; poor impulse control; DEPRESSION; HALLUCINATIONS; and DELUSIONS. Eventually intellectual impairment; loss of fine motor control; ATHETOSIS; and diffuse chorea involving axial and limb musculature develops, leading to a vegetative state within 10-15 years of disease onset. The juvenile variant has a more fulminant course including SEIZURES; ATAXIA; dementia; and chorea. (From Adams et al., Principles of Neurology, 6th ed, pp1060-4)	0	2.31	1	0
Cancer of Prostate [description not available]	0	2.31	1	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	0	2.31	1	0
Chronic Lung Injury [description not available]	0	2.52	2	0
Tauopathies Neurodegenerative disorders involving deposition of abnormal tau protein isoforms (TAU PROTEINS) in neurons and glial cells in the brain. Pathological aggregations of tau proteins are associated with mutation of the tau gene on chromosome 17 in patients with ALZHEIMER DISEASE; DEMENTIA; PARKINSONIAN DISORDERS; progressive supranuclear palsy (SUPRANUCLEAR PALSY, PROGRESSIVE); and corticobasal degeneration.	0	2.31	1	0
Pericementitis [description not available]	0	2.41	1	0
Alveolar Bone Atrophy [description not available]	0	2.41	1	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	0	7.41	1	0
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	1	8.1	5	2
Amphetamine Abuse [description not available]	0	2.41	1	0
Amphetamine-Related Disorders Disorders related or resulting from use of amphetamines.	0	2.41	1	0
Blast Injuries Injuries resulting when a person is struck by particles impelled with violent force from an explosion. Blast causes pulmonary concussion and hemorrhage, laceration of other thoracic and abdominal viscera, ruptured ear drums, and minor effects in the central nervous system. (From Dorland, 27th ed)	0	2.15	1	0
Brain Swelling [description not available]	0	2.15	1	0
Hemorrhage, Subarachnoid [description not available]	0	2.15	1	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	0	2.15	1	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	0	7.15	1	0
Cholera Infantum [description not available]	0	4.18	3	0
Chronic Insomnia [description not available]	0	2.15	1	0
Sleep Initiation and Maintenance Disorders Disorders characterized by impairment of the ability to initiate or maintain sleep. This may occur as a primary disorder or in association with another medical or psychiatric condition.	0	2.15	1	0
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	0	2.15	1	0
Autoimmune Disease [description not available]	0	3.06	1	0
Eye Disorders [description not available]	0	3.06	1	0
Dermatoses [description not available]	0	3.06	1	0
Autoimmune Diseases Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides.	0	3.06	1	0
Eye Diseases Diseases affecting the eye.	0	3.06	1	0
Intestinal Diseases Pathological processes in any segment of the INTESTINE from DUODENUM to RECTUM.	0	3.06	1	0
Skin Diseases Diseases involving the DERMIS or EPIDERMIS.	0	3.06	1	0
Liver Dysfunction [description not available]	0	2.15	1	0
Liver Diseases Pathological processes of the LIVER.	0	2.15	1	0
Respiration Disorders Diseases of the respiratory system in general or unspecified or for a specific respiratory disease not available.	0	5.69	2	1
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	0	7.15	1	0
Cancer of Lung [description not available]	0	3.72	3	0
Angiogenesis, Pathologic [description not available]	0	2.54	2	0
Lung Neoplasms Tumors or cancer of the LUNG.	0	3.72	3	0
Bladder, Overactive [description not available]	0	2.15	1	0
Urinary Bladder, Overactive Symptom of overactive detrusor muscle of the URINARY BLADDER that contracts with abnormally high frequency and urgency. Overactive bladder is characterized by the frequent feeling of needing to urinate during the day, during the night, or both. URINARY INCONTINENCE may or may not be present.	0	2.15	1	0
Lung Injury, Acute [description not available]	0	3.96	4	0
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	0	3.96	4	0
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	0	6.48	3	1
Bacterial Pneumonia [description not available]	0	3.42	2	0
Airway Remodeling The structural changes in the number, mass, size and/or composition of the airway tissues.	0	4.61	5	0
Centriacinar Emphysema [description not available]	0	5.06	9	0
Pneumonia, Bacterial Inflammation of the lung parenchyma that is caused by bacterial infections.	0	3.42	2	0
Colitis Gravis [description not available]	0	2.17	1	0
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	0	2.17	1	0
Airway Hyper-Responsiveness [description not available]	0	3.32	6	0
Muscular Weakness [description not available]	0	2.17	1	0
Muscle Weakness A vague complaint of debility, fatigue, or exhaustion attributable to weakness of various muscles. The weakness can be characterized as subacute or chronic, often progressive, and is a manifestation of many muscle and neuromuscular diseases. (From Wyngaarden et al., Cecil Textbook of Medicine, 19th ed, p2251)	0	2.17	1	0
Autosomal Dominant Juvenile Parkinson Disease [description not available]	0	2.17	1	0
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	0	2.17	1	0
Degenerative Diseases, Central Nervous System [description not available]	0	2.17	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	0	2.55	2	0
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	0	2.17	1	0
Alveolitis, Fibrosing [description not available]	0	3.59	8	0
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	0	3.59	8	0
Cancer of Ovary [description not available]	0	2.17	1	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	0	2.17	1	0
Chronic Bronchitis [description not available]	0	9.47	10	4
Bronchitis, Chronic A subcategory of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. The disease is characterized by hypersecretion of mucus accompanied by a chronic (more than 3 months in 2 consecutive years) productive cough. Infectious agents are a major cause of chronic bronchitis.	1	11.47	10	4
Complications of Diabetes Mellitus [description not available]	0	2.21	1	0
Cystitis Inflammation of the URINARY BLADDER, either from bacterial or non-bacterial causes. Cystitis is usually associated with painful urination (dysuria), increased frequency, urgency, and suprapubic pain.	0	2.21	1	0
Bladder Cancer [description not available]	0	2.17	1	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	0	2.17	1	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	0	5.1	3	1
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	0	10.07	14	5
Pneumonia Infection of the lung often accompanied by inflammation.	0	10.07	14	5
Cirrhosis, Liver [description not available]	0	3.87	2	1
Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.	0	8.87	2	1
Air Embolism [description not available]	0	2.21	1	0
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	0	4.58	5	1
Smoking Cessation Discontinuing the habit of SMOKING.	0	3.86	2	0
Hallucination of Body Sensation [description not available]	0	2.08	1	0
Apnea, Sleep [description not available]	0	2.08	1	0
Weight Reduction [description not available]	0	9.88	8	5
Anorexia The lack or loss of APPETITE accompanied by an aversion to food and the inability to eat. It is the defining characteristic of the disorder ANOREXIA NERVOSA.	0	2.08	1	0
Bronchitis Inflammation of the large airways in the lung including any part of the BRONCHI, from the PRIMARY BRONCHI to the TERTIARY BRONCHI.	0	9.08	5	0
Hallucinations Subjectively experienced sensations in the absence of an appropriate stimulus, but which are regarded by the individual as real. They may be of organic origin or associated with MENTAL DISORDERS.	0	2.08	1	0
Sleep Apnea Syndromes Disorders characterized by multiple cessations of respirations during sleep that induce partial arousals and interfere with the maintenance of sleep. Sleep apnea syndromes are divided into central (see SLEEP APNEA, CENTRAL), obstructive (see SLEEP APNEA, OBSTRUCTIVE), and mixed central-obstructive types.	0	2.08	1	0
Weight Loss Decrease in existing BODY WEIGHT.	0	9.88	8	5
Infections, Respiratory Syncytial Virus [description not available]	0	2.08	1	0
Metaplasia A condition in which there is a change of one adult cell type to another similar adult cell type.	0	2.08	1	0
Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported.	0	2.08	1	0
Cardiovascular Stroke [description not available]	0	2.08	1	0
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	0	2.08	1	0
Acute Disease Disease having a short and relatively severe course.	0	7.24	6	0
Leukocyte Disorders Disordered formation of various types of leukocytes or an abnormal accumulation or deficiency of these cells.	0	2.08	1	0
Allotriophagy An unusual desire or craving for abnormal foods.	0	2.47	2	0
Adverse Drug Event [description not available]	0	3.48	1	1
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	0	3.48	1	1
Dermatitis Any inflammation of the skin.	1	10.38	2	0
Breathlessness [description not available]	0	5.63	3	2
Dyspnea Difficult or labored breathing.	0	10.63	3	2
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	0	2.52	2	0
Bronchial Hyperreactivity Tendency of the smooth muscle of the tracheobronchial tree to contract more intensely in response to a given stimulus than it does in the response seen in normal individuals. This condition is present in virtually all symptomatic patients with asthma. The most prominent manifestation of this smooth muscle contraction is a decrease in airway caliber that can be readily measured in the pulmonary function laboratory.	0	4.71	6	1
Vascular Injuries [description not available]	0	2.52	2	0
Neointima The new and thickened layer of scar tissue that forms on a PROSTHESIS, or as a result of vessel injury especially following ANGIOPLASTY or stent placement.	0	2.11	1	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	0	2.11	1	0
Pulmonary Consumption [description not available]	0	2.11	1	0
Tuberculosis, Pulmonary MYCOBACTERIUM infections of the lung.	0	2.11	1	0
Blood Clot [description not available]	0	2.13	1	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	0	2.13	1	0
Acute Symptom Flare [description not available]	0	3.44	2	0
Allergic Rhinitis [description not available]	0	2.13	1	0
Respiratory Tract Diseases Diseases involving the RESPIRATORY SYSTEM.	0	3.38	2	0
Rhinitis, Allergic An inflammation of the NASAL MUCOSA triggered by ALLERGENS.	0	2.13	1	0
Cough A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs.	0	2.13	1	0
Infections, Pseudomonas [description not available]	0	2.13	1	0
Infections, Respiratory [description not available]	0	2.13	1	0
Pseudomonas Infections Infections with bacteria of the genus PSEUDOMONAS.	0	2.13	1	0
Respiratory Tract Infections Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.	0	2.13	1	0
Graft-Versus-Host Disease [description not available]	0	7.13	1	0
Graft vs Host Disease The clinical entity characterized by anorexia, diarrhea, loss of hair, leukopenia, thrombocytopenia, growth retardation, and eventual death brought about by the GRAFT VS HOST REACTION.	0	2.13	1	0
Acute Edematous Pancreatitis [description not available]	0	2.13	1	0
Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis.	0	7.13	1	0
Acquired Form of Epidermolysis Bullosa [description not available]	0	2.13	1	0
Epidermolysis Bullosa Acquisita Form of epidermolysis bullosa characterized by trauma-induced, subepidermal blistering with no family history of the disease. Direct immunofluorescence shows IMMUNOGLOBULIN G deposited at the dermo-epidermal junction.	0	2.13	1	0
Orphan Diseases Rare diseases that have not been well studied.	0	2.13	1	0
Hand-Schu00FCller-Christian Disease [description not available]	0	2.13	1	0
Histiocytosis, Langerhans-Cell A group of disorders resulting from the abnormal proliferation of and tissue infiltration by LANGERHANS CELLS which can be detected by their characteristic Birbeck granules (X bodies), or by monoclonal antibody staining for their surface CD1 ANTIGENS. Langerhans-cell granulomatosis can involve a single organ, or can be a systemic disorder.	0	2.13	1	0
Insulin Sensitivity [description not available]	0	2.5	2	0
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	0	2.5	2	0
Weight Gain Increase in BODY WEIGHT over existing weight.	0	7.15	1	0
Contact Dermatitis [description not available]	0	2.04	1	0
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	0	2.04	1	0
Anoxemia [description not available]	0	2.05	1	0
Pulmonary Hypertension [description not available]	0	9.13	3	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	0	7.05	1	0
Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES.	0	4.13	3	0
Nervous System Disorders [description not available]	0	2.96	1	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	1	4.96	1	0
Breast Cancer [description not available]	0	2.05	1	0
Cancer of Cervix [description not available]	0	2.05	1	0
Breast Neoplasms Tumors or cancer of the human BREAST.	0	2.05	1	0
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	0	2.05	1	0
Edema, Pulmonary [description not available]	0	2.45	2	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	0	2.45	2	0
Obstructive Lung Diseases [description not available]	0	4.64	4	0
Lung Diseases, Obstructive Any disorder marked by obstruction of conducting airways of the lung. AIRWAY OBSTRUCTION may be acute, chronic, intermittent, or persistent.	1	6.64	4	0
Kidney Failure A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism.	0	4.15	3	1
Renal Insufficiency Conditions in which the KIDNEYS perform below the normal level in the ability to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. Renal insufficiency can be classified by the degree of kidney damage (as measured by the level of PROTEINURIA) and reduction in GLOMERULAR FILTRATION RATE.	0	4.15	3	1
Eosinophilia, Pulmonary [description not available]	0	4.37	1	1
Pulmonary Eosinophilia A condition characterized by infiltration of the lung with EOSINOPHILS due to inflammation or other disease processes. Major eosinophilic lung diseases are the eosinophilic pneumonias caused by infections, allergens, or toxic agents.	0	4.37	1	1
HIV Coinfection [description not available]	0	2.48	2	0
AIDS Nephropathy [description not available]	0	2.48	2	0
Proteinuria The presence of proteins in the urine, an indicator of KIDNEY DISEASES.	0	2.07	1	0
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	0	2.48	2	0
AIDS-Associated Nephropathy Renal syndrome in human immunodeficiency virus-infected patients characterized by nephrotic syndrome, severe proteinuria, focal and segmental glomerulosclerosis with distinctive tubular and interstitial changes, enlarged kidneys, and peculiar tubuloreticular structures. The syndrome is distinct from heroin-associated nephropathy as well as other forms of kidney disease seen in HIV-infected patients.	0	2.48	2	0
Opportunistic Infections An infection caused by an organism which becomes pathogenic under certain conditions, e.g., during immunosuppression.	0	2.08	1	0
Vascular Diseases Pathological processes involving any of the BLOOD VESSELS in the cardiac or peripheral circulation. They include diseases of ARTERIES; VEINS; and rest of the vasculature system in the body.	0	2.07	1	0
Polyps Discrete abnormal tissue masses that protrude into the lumen of the DIGESTIVE TRACT or the RESPIRATORY TRACT. Polyps can be spheroidal, hemispheroidal, or irregular mound-shaped structures attached to the MUCOUS MEMBRANE of the lumen wall either by a stalk, pedunculus, or by a broad base.	0	2.02	1	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	0	2.02	1	0
Bronchospasm [description not available]	0	2.03	1	0
Bronchial Spasm Spasmodic contraction of the smooth muscle of the bronchi.	0	2.03	1	0
B-Cell Chronic Lymphocytic Leukemia [description not available]	0	2.03	1	0
Leukemia, Lymphocytic, Chronic, B-Cell A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.	0	2.03	1	0
Colitis, Mucous [description not available]	0	2.04	1	0
Irritable Bowel Syndrome A disorder with chronic or recurrent colonic symptoms without a clearcut etiology. This condition is characterized by chronic or recurrent ABDOMINAL PAIN, bloating, MUCUS in FECES, and an erratic disturbance of DEFECATION.	0	2.04	1	0
Hay Fever [description not available]	0	3.8	2	1
Rhinitis, Allergic, Seasonal Allergic rhinitis that occurs at the same time every year. It is characterized by acute CONJUNCTIVITIS with lacrimation and ITCHING, and regarded as an allergic condition triggered by specific ALLERGENS.	0	3.8	2	1
Bronchospasm, Exercise-Induced [description not available]	0	3.39	1	1
Asthma, Exercise-Induced Asthma attacks following a period of exercise. Usually the induced attack is short-lived and regresses spontaneously. The magnitude of postexertional airway obstruction is strongly influenced by the environment in which exercise is performed (i.e. inhalation of cold air during physical exertion markedly augments the severity of the airway obstruction; conversely, warm humid air blunts or abolishes it).	0	3.39	1	1

roflumilast

Cross-References

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Overview

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Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

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Bioassays (217)

Research

Studies (554)

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Research Demand Index: 89.08

Study Types

roflumilast

Cross-References

Synonyms (95)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (5)

Protein Targets (41)

Potency Measurements

Inhibition Measurements

Biological Processes (172)

Molecular Functions (45)

Ceullar Components (44)

Bioassays (217)

Research

Studies (554)

Market Indicators

Research Demand Index: 89.08

Study Types

Related Drugs (821)

Related Conditions (308)