tipifarnib profile

ID Source	ID
PubMed CID	159324
CHEBI ID	141969
SCHEMBL ID	8097
SCHEMBL ID	21544535
MeSH ID	M0355462

Synonym
HY-10502
nsc-702818
r-115777
zarnestra
tipifarnib (usan/inn)
192185-72-1
D03720 ,
2 (1h))-quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-,(+)-
6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
JAN ,
r115777 ,
tipifarnib ,
1X81
(r)-6-(amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone
2 (1h))-quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-, (+)-
tipifarnib [usan]
6-[(r)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
r-11577
tipifarnibum
(+)-(r)-6-[amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone
CHEBI:141969
6-[(r)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
ind 58359
TIPIFARNIB - ZARNESTRA
tipifarnib (zarnestra) ,
ccris 9329
mat637500a ,
(r)-(+)-r115777
tipifarnib [usan:inn]
unii-mat637500a
2 (1h))-quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-
(r)-tipifarnib
bdbm50370385
BCPP000044
NCGC00250406-01
CS-0475
S1453
BRD-K62965247-001-01-5
(r)-6-[amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone
tipifarnib [inn]
tipifarnib [who-dd]
tipifarnib [mi]
tipifarnib [mart.]
gtpl8025
DB04960
smr002530065
MLS006011105
SCHEMBL8097
(r)-6-(amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
Q-102509
AC-33171
DTXSID5041140
AKOS027326864
HMS3654B10
tipifarnib, >=98% (hplc)
SW219749-1
r115777; tipifarnib
EX-A2346
tipifarnib; ind 58359; r115777
BS-15758
6-[(r)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl}-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone
tipifarneb
BCP02262
SCHEMBL21544535
AMY20627
SB16693
2(1h)-quinolinone, 6-[(r)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-
HMS3748E21
CCG-264893
r115777;ind 58359
NCGC00250406-02
nsc760444
nsc-760444
D70631
tipifarnib (r115777)

Excerpt	Reference	Relevance
"Tipifarnib is an inhibitor of human protein farnesyltransferase."	( Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery. Arif, J; Buckner, FS; Chennamaneni, NK; Gelb, MH; Karimi, M; Kraus, JM; McGuffin, SA; Tatipaka, HB; Verlinde, CL, 2010)	1.32
"Tipifarnib is a potent and highly selective inhibitor of farnesyltransferase (FTase). "	( Tipifarnib as a Precision Therapy for Burrows, F; Calleja-Valera, JL; Chillà, A; Ferrara, N; Gilardi, M; Goto, Y; Gualberto, A; Gutkind, JS; Janes, MR; Mikulski, Z; Molinolo, AA; Proietto, M; Vanoni, M; Wang, Z, 2020)	3.44
"Tipifarnib is a novel targeted treatment for hematologic malignancies that is being recently studied for the treatment of advanced solid organ tumors with HRAS mutations. "	( Concomitant Acute Tubular Necrosis and Acute Interstitial Nephritis Induced by Tipifarnib in a Patient with Squamous Cell Carcinoma of the Lung. Fernandez-Juarez, G; Gimenez-Moyano, S; Guerrero-Marquez, C; Martinez de la Cruz, P; Mielgo-Rubio, X; Shabaka, A, 2021)	2.29
"Tipifarnib (T) is a farnesyl transferase inhibitor (FTI) that enhances the antineoplastic effects of cytotoxic therapy in vitro, has activity in metastatic breast cancer, and enhances the pathologic complete response (pCR) rate to neoadjuvant doxorubicin-cyclophosphamide (AC) chemotherapy. "	( Phase I-II study of the farnesyl transferase inhibitor tipifarnib plus sequential weekly paclitaxel and doxorubicin-cyclophosphamide in HER2/neu-negative inflammatory carcinoma and non-inflammatory estrogen receptor-positive breast carcinoma. Alvarez, RH; Andreopoulou, E; Cristofanilli, M; Fehn, K; Fineberg, S; Han, HS; Hershman, DL; Pellegrino, CM; Raptis, G; Sparano, JA; Vahdat, LT; Valero, V; Vigoda, IS; Wright, JJ, 2013)	2.08
"Tipifarnib is a farnesyl transferase (FTase) inhibitor that has activity in metastatic breast cancer and enhances the efficacy of cytotoxic agents in preclinical models. "	( Phase II trial of tipifarnib plus neoadjuvant doxorubicin-cyclophosphamide in patients with clinical stage IIB-IIIC breast cancer. Coppola, D; Fineberg, S; Hershman, D; Hopkins, U; Hoschander, S; Kazi, A; Kleer, C; Lee, D; Li, T; Malafa, M; Merajver, S; Moulder, S; Munster, P; Negassa, A; Pellegrino, C; Sebti, SM; Sparano, JA; Vahdat, L; Wright, JJ, 2009)	2.13
"Tipifarnib is a nonpeptidomimetic inhibitor of farnesyl transferase that was developed as a potential inhibitor of RAS signaling."	( Farnesyltransferase inhibitor tipifarnib (R115777) preferentially inhibits in vitro autonomous erythropoiesis of polycythemia vera patient cells. Cassinat, B; Chomienne, C; Gervais, N; Larghero, J; Padua, RA; Rain, JD; Rousselot, P; Schlageter, MH, 2005)	1.34
"Tipifarnib is a potent farnesyl transferase inhibitor, and incadronate prevents post-translational prenylation of GTP-binding proteins such as RAS proteins."	( Nitrogen-containing bisphosphonate incadronate augments the inhibitory effect of farnesyl transferase inhibitor tipifarnib on the growth of fresh and cloned myeloma cells in vitro. Ashihara, E; Fuchida, S; Inaba, T; Ochiai, N; Okamoto, M; Okano, A; Shimazaki, C; Uchida, R; Yamada, N, 2005)	1.26
"Tipifarnib is an oral nonpeptidomimetic farnesyl transferase inhibitor developed to inhibit a variety of farnesylated targets potentially relevant to the therapy of various malignancies. "	( Tipifarnib: farnesyl transferase inhibition at a crossroads. Mesa, RA, 2006)	3.22
"Tipifarnib is an orally bioavailable, nonpeptidomimetic methylquinolone FTI that is being tested clinically in diverse hematologic malignancies, in particular myeloid malignancies and myeloma."	( Development of the farnesyltransferase inhibitor tipifarnib for therapy of hematologic malignancies. Karp, JE; Lancet, JE, 2005)	1.3
"Tipifarnib is an active agent for the treatment of patients with intermediate- to high-risk MDS."	( A multicenter phase 2 study of the farnesyltransferase inhibitor tipifarnib in intermediate- to high-risk myelodysplastic syndrome. Aul, C; Cripe, L; De Porre, P; Fenaux, P; Germing, U; Kantarjian, H; Kerstens, R; Kurzrock, R; Mufti, GJ; Raza, A, 2007)	1.3
"Tipifarnib is a specific inhibitor of farnesyltransferase."	( The emerging role of targeted therapy for hematologic malignancies: update on bortezomib and tipifarnib. Armand, JP; Burnett, AK; Drach, J; Harousseau, JL; Löwenberg, B; San Miguel, J, 2007)	1.28
"Tipifarnib is an oral farnesyltransferase inhibitor with activity in AML."	( Phase II trial of tipifarnib as maintenance therapy in first complete remission in adults with acute myelogenous leukemia and poor-risk features. Garrett-Mayer, E; Gojo, I; Gore, SD; Greer, J; Karp, JE; Klein, M; Lancet, JE; Levis, MJ; Morris, L; Smith, BD; Wright, JJ, 2008)	1.4
"Tipifarnib is a specific and potent farnesyltransferase inhibitor that demonstrates in vivo and in vitro activity against a variety of human cancers."	( Farnesyltransferase inhibition in hematologic malignancies: the clinical experience with tipifarnib. Iacobucci, I; Martinelli, G; Ottaviani, E; Paolini, S, 2008)	1.29

Excerpt	Reference	Relevance
"Tipifarnib has only a moderate ability to slow tumor growth as a single agent in HNSCC with wild type H-Ras, despite specifically inhibiting the farnesyltransferase upon which the function of H-Ras depends. "	( Tipifarnib enhances anti-EGFR activity of cetuximab in non-HRas mutated head and neck squamous cell carcinoma cancer (HNSCC). Chen, Z; Chen, ZG; El-Deiry, M; Griffith, CC; Nannapaneni, S; Patel, M; Saba, NF; Shin, DM; Shu, L; Sun, Y; Wang, D; Wang, X, 2021)	3.51
"Tipifarnib has displayed the most interesting activity in the myeloid malignancies of myelodysplastic syndrome, myelofibrosis with myeloid metaplasia and elderly/high-risk acute myeloid leukemia."	( Tipifarnib: farnesyl transferase inhibition at a crossroads. Mesa, RA, 2006)	2.5

Excerpt	Reference	Relevance
"Tipifarnib did not increase pre-transplant toxicities."	( Phase II/III trial of a pre-transplant farnesyl transferase inhibitor in juvenile myelomonocytic leukemia: a report from the Children's Oncology Group. Alonzo, TA; Arceci, RJ; Balis, FM; Bunin, NJ; Castleberry, RP; Cheng, JW; Cooper, TM; Emanuel, PD; Gerbing, RB; Jayaprakash, N; Liu, YL; Loh, ML; Stieglitz, E; Ward, AF; Widemann, BC, 2015)	1.14

Excerpt	Reference	Relevance
"Tipifarnib-treated mice were compared to phosphate-buffered saline (PBS)-treated mice."	( The farnesyltransferase inhibitor tipifarnib protects against autoimmune hepatitis induced by Concanavalin A. Akahoshi, T; Guo, J; Mizuta, Y; Murata, M; Shirozu, K; Yamaura, K, 2020)	1.56
"Treatment with tipifarnib showed dramatic anticancer effects but was unable to achieve a complete response."	( Single-cell RNA sequencing reveals the tumor microenvironment and facilitates strategic choices to circumvent treatment failure in a chemorefractory bladder cancer patient. Chung, W; Hong, JH; Jeong, BC; Jeong, DE; Jo, A; Joo, KM; Lee, HO; Lee, HW; Lim, JE; Nam, DH; Park, SH; Park, WY, 2020)	0.9
"Treatment with tipifarnib relapsed or refractory MCL is associated with low response rates. "	( Phase II trial and prediction of response of single agent tipifarnib in patients with relapsed/refractory mantle cell lymphoma: a Groupe d'Etude des Lymphomes de l'Adulte trial. Bouabdallah, R; Briere, J; Chassagne-Clement, C; De Kerviler, E; Franchi, P; Ghesquieres, H; Haioun, C; Houlgatte, R; Jais, JP; Jardin, F; Raponi, M; Ribrag, V; Rolland, D; Thieblemont, C, 2010)	0.96
"Treatment with tipifarnib suppressed FTase (but not geranylgeranyltransferase I) in bone marrow and peripheral blood mononuclear cells and also inhibited the farnesylation of HDJ-2 in unfractionated mononuclear cells and purified myeloma cells."	( Farnesyltransferase inhibitor tipifarnib is well tolerated, induces stabilization of disease, and inhibits farnesylation and oncogenic/tumor survival pathways in patients with advanced multiple myeloma. Adjei, AA; Ahmann, G; Alsina, M; Belle, AN; Bruzek, LM; Cantor, AB; Dalton, WS; Djulbegovic, B; Fonseca, R; Gerbino, E; Greipp, PR; Kaufmann, SH; Overton, RM; Price-Troska, T; Sebti, SM; Sullivan, D; Wilson, EF; Wright, JJ, 2004)	0.95

Excerpt	Reference	Relevance
" Dual mTORC1/mTORC2 inhibitor AZD2014 showed no considerable effects on embryonic cells of zebrafish in concentrations substantially toxic in cancer cells."	( Comparative toxicity evaluation of targeted anticancer therapeutics in embryonic zebrafish and sea urchin models. Babic, T; Buric, SS; Dinic, J; Hadzic, S; Pesic, M; Radojkovic, D; Rankov, AD, 2018)	0.48

Excerpt	Reference	Relevance
"To determine the maximum-tolerated dose, toxicities, and pharmacokinetic profile of the farnesyl protein transferase inhibitor R115777 when administered orally bid for 5 days every 2 weeks."	( Phase I and pharmacokinetic study of farnesyl protein transferase inhibitor R115777 in advanced cancer. Belly, RT; Bol, CJ; Bowden, C; Chiao, J; Chow, C; Cowan, KH; End, DW; Gress, RE; Hakim, FT; Horak, ID; Kohler, DR; Kopp, WC; Kremer, AB; Larkin, G; Noone, M; Nussenblatt, RB; Piotrovsky, VK; Todd, A; Woestenborghs, R; Zujewski, J, 2000)	0.31
" Based upon pharmacokinetic data, the recommended dose for phase II trials is 500 mg orally bid (total daily dose, 1, 000 mg) for 5 consecutive days followed by 9 days of rest."	( Phase I and pharmacokinetic study of farnesyl protein transferase inhibitor R115777 in advanced cancer. Belly, RT; Bol, CJ; Bowden, C; Chiao, J; Chow, C; Cowan, KH; End, DW; Gress, RE; Hakim, FT; Horak, ID; Kohler, DR; Kopp, WC; Kremer, AB; Larkin, G; Noone, M; Nussenblatt, RB; Piotrovsky, VK; Todd, A; Woestenborghs, R; Zujewski, J, 2000)	0.31
"Antitumor and pharmacodynamic studies were performed in MCF-7 human breast cancer cells and companion xenografts with the farnesyl protein transferase inhibitor, R115777, presently undergoing Phase II clinical trials, including in breast cancer."	( Preclinical antitumor activity and pharmacodynamic studies with the farnesyl protein transferase inhibitor R115777 in human breast cancer. Clarke, PA; Detre, S; Dowsett, M; End, D; Howes, AJ; Johnston, SR; Kelland, LR; Patterson, L; Smith, V; Valenti, M; Workman, P, 2001)	0.31
" The study also sought to identify drug-drug pharmacokinetic interactions, evaluate effects on protein farnesylation, and seek preliminary evidence for clinical activity."	( A phase I, pharmacokinetic, and biological study of the farnesyltransferase inhibitor tipifarnib in combination with gemcitabine in patients with advanced malignancies. Eckhardt, SG; Gentner, L; Goetz, A; Hammond, LA; Izbicka, E; McCreery, H; Mori, M; Patnaik, A; Richards, H; Rowinsky, EK; Rybak, ME; Schwartz, G; Takimoto, CH; Terada, K; Tolcher, AA; Zhang, S, 2003)	0.54
" To identify pharmacokinetic interactions, the treatment and plasma sampling schemes were designed to permit comparisons of the pharmacokinetic behavior of each agent administered alone and together."	( A phase I, pharmacokinetic, and biological study of the farnesyltransferase inhibitor tipifarnib in combination with gemcitabine in patients with advanced malignancies. Eckhardt, SG; Gentner, L; Goetz, A; Hammond, LA; Izbicka, E; McCreery, H; Mori, M; Patnaik, A; Richards, H; Rowinsky, EK; Rybak, ME; Schwartz, G; Takimoto, CH; Terada, K; Tolcher, AA; Zhang, S, 2003)	0.54
" There was no evidence of clinically relevant pharmacokinetic interactions between tipifarnib and gemcitabine."	( A phase I, pharmacokinetic, and biological study of the farnesyltransferase inhibitor tipifarnib in combination with gemcitabine in patients with advanced malignancies. Eckhardt, SG; Gentner, L; Goetz, A; Hammond, LA; Izbicka, E; McCreery, H; Mori, M; Patnaik, A; Richards, H; Rowinsky, EK; Rybak, ME; Schwartz, G; Takimoto, CH; Terada, K; Tolcher, AA; Zhang, S, 2003)	0.77
" Tipifarnib pharmacokinetic and pharmacodynamic variables were similar in the presence and absence of tamoxifen."	( A phase I trial and pharmacokinetic study of tipifarnib, a farnesyltransferase inhibitor, and tamoxifen in metastatic breast cancer. Balis, FM; Chow, C; Clark, G; Eng-Wong, J; Gantz, SB; Jayaprakash, N; Lebowitz, PF; Venzon, D; Widemann, BC; Zujewski, J, 2005)	1.5
" Pharmacokinetic sampling was performed for 36 hours after the first dose and peripheral-blood mononuclear cells (PBMCs) were collected at baseline and steady state for determination of farnesyl protein transferase (FTase) activity and HDJ-2 farnesylation."	( Phase I trial and pharmacokinetic study of the farnesyltransferase inhibitor tipifarnib in children with refractory solid tumors or neurofibromatosis type I and plexiform neurofibromas. Arceci, RJ; Balis, FM; Blaney, SM; End, D; Fox, E; Gillespie, A; Jayaprakash, N; Palumbo, JS; Pitney, A; Salzer, WL; Whitcomb, P; Widemann, BC; Zannikos, P, 2006)	0.56
" The pharmacokinetic profile of tipifarnib in children is similar to that in adults, and at the MTD, FTase is inhibited in PBMC in vivo."	( Phase I trial and pharmacokinetic study of the farnesyltransferase inhibitor tipifarnib in children with refractory solid tumors or neurofibromatosis type I and plexiform neurofibromas. Arceci, RJ; Balis, FM; Blaney, SM; End, D; Fox, E; Gillespie, A; Jayaprakash, N; Palumbo, JS; Pitney, A; Salzer, WL; Whitcomb, P; Widemann, BC; Zannikos, P, 2006)	0.85
"Although the high incidence of febrile neutropenia necessitated a multiple scheduling adaptation of tipifarnib compared to the original protocol, the apparent lack of mutual pharmacokinetic interactions, the ability to coadminister tipifarnib and docetaxel near single-agent MTDs, and suggestive evidence of efficacy make this drug combination attractive for further examination."	( A phase I clinical and pharmacokinetic study of tipifarnib in combination with docetaxel in patients with advanced solid malignancies. Awada, A; De Porre, P; de Valeriola, D; Gil, T; Lalami, Y; Piccart-Gebhart, MJ; Zhang, S, 2007)	0.81
" Pharmacokinetic sampling was performed for 36 hr after the first dose and leukemic blasts were collected pre-treatment and at steady state for determination of FTase activity."	( Phase 1 trial and pharmacokinetic study of the farnesyl transferase inhibitor tipifarnib in children and adolescents with refractory leukemias: a report from the Children's Oncology Group. Adamson, PC; Arceci, RJ; Balis, FM; Blaney, SM; Fox, E; Goodspeed, W; Goodwin, A; Jayaprakash, N; Widemann, BC; Wright, JJ; Zannikos, P, 2011)	0.6
"Of 29 patients enrolled, 18 were fully evaluable for toxicity, and 23 for response; 26 had pharmacokinetic and pharmacodynamic sampling."	( Phase 1 trial and pharmacokinetic study of the farnesyl transferase inhibitor tipifarnib in children and adolescents with refractory leukemias: a report from the Children's Oncology Group. Adamson, PC; Arceci, RJ; Balis, FM; Blaney, SM; Fox, E; Goodspeed, W; Goodwin, A; Jayaprakash, N; Widemann, BC; Wright, JJ; Zannikos, P, 2011)	0.6

Excerpt	Reference	Relevance
"To assess the feasibility of administering tipifarnib, an oral nonpeptidomimetic competitive inhibitor of farnesyltransferase, in combination with gemcitabine and recommend doses for disease-directed clinical trials."	( A phase I, pharmacokinetic, and biological study of the farnesyltransferase inhibitor tipifarnib in combination with gemcitabine in patients with advanced malignancies. Eckhardt, SG; Gentner, L; Goetz, A; Hammond, LA; Izbicka, E; McCreery, H; Mori, M; Patnaik, A; Richards, H; Rowinsky, EK; Rybak, ME; Schwartz, G; Takimoto, CH; Terada, K; Tolcher, AA; Zhang, S, 2003)	0.8
"The aims of this study were to determine the maximum-tolerated dose (MTD), toxicity profile, and pharmacokinetics of irinotecan given with oral R115777 (tipifarnib), a farnesyl protein transferase inhibitor."	( Phase I and pharmacokinetic study of irinotecan in combination with R115777, a farnesyl protein transferase inhibitor. de Bruijn, P; de Heus, G; de Jonge, MJ; Eskens, FA; Kehrer, DF; Klaren, A; Mathijssen, RH; Palmer, PA; Planting, AS; Sparreboom, A; Verhaeghe, T; Verheij, C; Verweij, J; Xie, R; Zhang, S, 2004)	0.52
"This phase I trial was designed to determine the safety and maximum tolerated dose (MTD) of tipifarnib in combination with gemcitabine and cisplatin in patients with advanced solid tumours."	( Phase I and pharmacological study of the farnesyltransferase inhibitor tipifarnib (Zarnestra, R115777) in combination with gemcitabine and cisplatin in patients with advanced solid tumours. Beijnen, JH; Crul, M; Howes, A; Pluim, D; Schellens, JH; Siegel-Lakhai, WS; Solanki, B; Sparidans, RW; Zhang, S, 2005)	0.78
"Although the high incidence of febrile neutropenia necessitated a multiple scheduling adaptation of tipifarnib compared to the original protocol, the apparent lack of mutual pharmacokinetic interactions, the ability to coadminister tipifarnib and docetaxel near single-agent MTDs, and suggestive evidence of efficacy make this drug combination attractive for further examination."	( A phase I clinical and pharmacokinetic study of tipifarnib in combination with docetaxel in patients with advanced solid malignancies. Awada, A; De Porre, P; de Valeriola, D; Gil, T; Lalami, Y; Piccart-Gebhart, MJ; Zhang, S, 2007)	0.81
"This study assessed the clinical efficacy of the farnesyltransferase inhibitor, tipifarnib, combined with letrozole in patients with advanced breast cancer and disease progression following antiestrogen therapy."	( A phase II, randomized, blinded study of the farnesyltransferase inhibitor tipifarnib combined with letrozole in the treatment of advanced breast cancer after antiestrogen therapy. Bessems, A; De Porre, PM; Dodwell, DJ; Howes, AJ; Johnston, SR; Manikhas, GM; Neven, P; Park, YC; Perez Ruixo, JJ; Romieu, G; Semiglazov, VF; Spaeth, D; Wardley, AM, 2008)	0.8
" We therefore investigated the efficacy of the farnesyltransferase inhibitor (FTI) R115777 (tipifarnib) in combination with tamoxifen in MCF-7 human breast cancer models both in vitro and in vivo."	( The farnesyltransferase inhibitor R115777 (tipifarnib) in combination with tamoxifen acts synergistically to inhibit MCF-7 breast cancer cell proliferation and cell cycle progression in vitro and in vivo. Detre, S; Dowsett, M; Head, JE; Howes, A; Johnston, SR; Kaye, S; Martin, LA; Pancholi, S; Quinn, E; Salter, J, 2007)	0.82
"The authors conducted a phase 1/2 study of tipifarnib in combination with idarubicin and cytarabine (IA) in 95 patients with previously untreated acute myeloid leukemia (AML) or high-risk myelodysplastic syndrome."	( A phase 1-2 study of a farnesyltransferase inhibitor, tipifarnib, combined with idarubicin and cytarabine for patients with newly diagnosed acute myeloid leukemia and high-risk myelodysplastic syndrome. Cortes, J; Estrov, Z; Faderl, S; Garcia-Manero, G; Jabbour, E; Kantarjian, H; O'Brien, S; Ravandi, F; Thomas, DA; Verstovsek, S; Wright, JJ, 2011)	0.88
"To determine the safety, target inhibition, and signals of clinical activity of tipifarnib in combination with bortezomib in patients with advanced acute leukemias."	( A phase I clinical-pharmacodynamic study of the farnesyltransferase inhibitor tipifarnib in combination with the proteasome inhibitor bortezomib in advanced acute leukemias. Blaskovich, MA; Burton, M; Cubitt, C; Duong, VH; Lancet, JE; Sebti, S; Stuart, RK; Sullivan, DM; Winton, EF; Wright, JJ; Zhang, S, 2011)	0.82
" Using phosphokinome profiling and immunofluorescence in the TF-1a cell line, we demonstrate that the drug combination is characterised by the activation of a DNA damage response (induction of γH2A."	( Targeting of CD34+CD38- cells using Gemtuzumab ozogamicin (Mylotarg) in combination with tipifarnib (Zarnestra) in Acute Myeloid Leukaemia. Jawad, M; Pallis, M; Russell, NH; Seedhouse, C; Tandon, K; Yu, N, 2012)	0.6
"The chemosensitivity of the CD34+CD38- subset, combined with enhanced damage indicators, suggest that this subset is primed to favour programmed cell death as opposed to repairing damage."	( Targeting of CD34+CD38- cells using Gemtuzumab ozogamicin (Mylotarg) in combination with tipifarnib (Zarnestra) in Acute Myeloid Leukaemia. Jawad, M; Pallis, M; Russell, NH; Seedhouse, C; Tandon, K; Yu, N, 2012)	0.6
" The MTD was reached at erlotinib 150 mg once daily combined with tipifarnib 300 mg twice daily."	( A phase I study of the farnesyltransferase inhibitor Tipifarnib in combination with the epidermal growth factor tyrosine kinase inhibitor Erlotinib in patients with advanced solid tumors. Adjei, A; Allred, J; Goetz, M; Jazieh, K; Kaufmann, SH; Lim, VS; Molina, J; Reid, J; Yin, J, 2019)	1
" Combined atorvastatin with celecoxib and tipifarnib synergistically decreased the sphere forming ability of Panc-1 cells and the drug combination also strongly inhibited cell proliferation and promoted apoptosis in the sphere-forming cells."	( Effects of atorvastatin in combination with celecoxib and tipifarnib on proliferation and apoptosis in pancreatic cancer sphere-forming cells. Chen, J; Goodin, S; Li, DL; Ma, YR; Ma, YY; Ren, X; Wang, X; Xu, XT; Zhang, K; Zhao, DG; Zheng, X; Zhou, RP, 2021)	1.13
"To determine the safety of tipifarnib in combination with escalating doses of bortezomib and to determine the maximum tolerated dose in patients with untreated high-risk MDS and oligoblastic acute myeloid leukemia, who were not eligible for intensive therapy."	( A phase I clinical trial to study the safety of treatment with tipifarnib combined with bortezomib in patients with advanced stages of myelodysplastic syndrome and oligoblastic acute myeloid leukemia. Blijlevens, N; de Witte, T; Langemeijer, S; Muus, P; van Bijnen, S, 2021)	1.16

Excerpt	Reference	Relevance
" An open, cross-over trial was performed in 24 patients with solid tumors to compare the bioavailability of a new tablet formulation with the standard capsule formulation."	( Evaluation of the bioequivalence of tablets and capsules containing the novel anticancer agent R115777 (Zarnestra) in patients with advanced solid tumors. Beijnen, JH; Bol, CJ; Crul, M; de Klerk, GJ; Palmer, PA; Schellens, JH; Swart, M; Weiner, L, )	0.13
"R115777 is an orally bioavailable farnesyltransferase inhibitor (FTI) that has displayed encouraging activity in patients with acute myeloid leukemia."	( In vitro antiproliferative activity of the farnesyltransferase inhibitor R115777 in hematopoietic progenitors from patients with myelofibrosis with myeloid metaplasia. Gray, LA; Kaufmann, SH; Mesa, RA; Reeder, T; Schroeder, G; Tefferi, A, 2003)	0.32
"Tipifarnib, an orally bioavailable inhibitor of farnesyl transferase, has activity in hematologic malignancies, but the dose required to achieve the proposed biologic end point, inhibition of farnesylation, is unknown."	( Dose-ranging pharmacodynamic study of tipifarnib (R115777) in patients with relapsed and refractory hematologic malignancies. Berk, S; Gajewski, TF; Harlin, H; Karrison, T; Larson, RA; Odenike, OM; Ratain, MJ; Sprague, E; Stock, W; Zimmerman, TM, 2004)	2.04
"Tipifarnib oral bioavailability (26."	( Population pharmacokinetics of tipifarnib in healthy subjects and adult cancer patients. De Porre, P; Hayes, S; Perez-Ruixo, JJ; Piotrovskij, V; Zannikos, P; Zhang, S, 2006)	2.06
"The tolerability and efficacy of the combination of tipifarnib, an orally bioavailable nonpeptidomimetic farnesyl transferase inhibitor, and imatinib was investigated in patients with chronic myelogenous leukemia in chronic phase who had failed imatinib."	( Phase 1 study of tipifarnib in combination with imatinib for patients with chronic myelogenous leukemia in chronic phase after imatinib failure. Cortes, J; Ebarb, T; Faderl, S; Garcia-Manero, G; Giles, F; Jones, D; Kantarjian, H; O'Brien, S; Quintás-Cardama, A; Thomas, D, 2007)	0.93
" Tipifarnib plus etoposide is a promising orally bioavailable regimen that warrants further evaluation in elderly adults who are not candidates for conventional induction chemotherapy."	( Active oral regimen for elderly adults with newly diagnosed acute myelogenous leukemia: a preclinical and phase 1 trial of the farnesyltransferase inhibitor tipifarnib (R115777, Zarnestra) combined with etoposide. Adjei, AA; Dai, NT; Feldman, EJ; Flatten, K; Garrett-Mayer, E; Gore, SD; Greer, JM; Ironside, V; Karp, JE; Kaufmann, SH; Le, SB; Levis, MJ; Loegering, DA; Meng, XW; Morris, LE; Ricklis, RM; Ritchie, E; Roboz, G; Schneider, PA; Smith, BD; Talbott, T; Wright, JJ, 2009)	1.46
" Since tipifarnib displays high oral bioavailability and acceptable pharmacokinetic properties, the newly discovered tipifarnib analogues are ideal leads for the development of drugs to treat Chagas disease."	( Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery. Arif, J; Buckner, FS; Chennamaneni, NK; Gelb, MH; Karimi, M; Kraus, JM; McGuffin, SA; Tatipaka, HB; Verlinde, CL, 2010)	1.05
"Cell membrane permeability is an important determinant for oral absorption and bioavailability of a drug molecule."	( Highly predictive and interpretable models for PAMPA permeability. Jadhav, A; Kerns, E; Nguyen, K; Shah, P; Sun, H; Xu, X; Yan, Z; Yu, KR, 2017)	0.46
"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

Excerpt	Relevance	Reference
" Studies of continuous dosing and studies of R115777 in combination with chemotherapy are ongoing."	( Phase I and pharmacokinetic study of farnesyl protein transferase inhibitor R115777 in advanced cancer. Belly, RT; Bol, CJ; Bowden, C; Chiao, J; Chow, C; Cowan, KH; End, DW; Gress, RE; Hakim, FT; Horak, ID; Kohler, DR; Kopp, WC; Kremer, AB; Larkin, G; Noone, M; Nussenblatt, RB; Piotrovsky, VK; Todd, A; Woestenborghs, R; Zujewski, J, 2000)	0.31
" Both dosage forms were administered once daily in doses of 300 or 400 mg."	( Evaluation of the bioequivalence of tablets and capsules containing the novel anticancer agent R115777 (Zarnestra) in patients with advanced solid tumors. Beijnen, JH; Bol, CJ; Crul, M; de Klerk, GJ; Palmer, PA; Schellens, JH; Swart, M; Weiner, L, )	0.13
"Continuous dosing of R115777 is feasible with an acceptable toxicity profile at a dose of 300 mg bid."	( Phase I clinical and pharmacologic study of chronic oral administration of the farnesyl protein transferase inhibitor R115777 in advanced cancer. Beijnen, JH; Boerrigter, L; Bol, CJ; Crul, M; de Gast, GC; de Jong, D; de Klerk, GJ; Palmer, PA; Schellens, JH; Swart, M; Tan, H; van't Veer, LJ, 2002)	0.31
" The first cohort (n = 41) received a continuous dosing [CD] regimen of R115777 400 or 300 mg bid."	( Phase II study of the efficacy and tolerability of two dosing regimens of the farnesyl transferase inhibitor, R115777, in advanced breast cancer. Dowsett, M; Ellis, P; Hickish, T; Houston, S; Howes, A; Johnston, SR; Kelland, L; Michiels, B; Palmer, P; Perez-Ruixo, JJ; Salter, J, 2003)	0.32
" Patients were treated with escalating doses of irinotecan with interval-modulated dosing of R115777 (continuously or on days 1-14, and repeated every 21 days)."	( Phase I and pharmacokinetic study of irinotecan in combination with R115777, a farnesyl protein transferase inhibitor. de Bruijn, P; de Heus, G; de Jonge, MJ; Eskens, FA; Kehrer, DF; Klaren, A; Mathijssen, RH; Palmer, PA; Planting, AS; Sparreboom, A; Verhaeghe, T; Verheij, C; Verweij, J; Xie, R; Zhang, S, 2004)	0.32
"5 h after oral dosing and no significant drug accumulation."	( Phase II study of the farnesyl transferase inhibitor R115777 in patients with sensitive relapse small-cell lung cancer. De Porre, PM; DeVore, RF; Heymach, JV; Jia, X; Johnson, BE; Johnson, DH; Khuri, FR; Richards, HM; Safran, H; Schlabach, LL; Yunus, F; Zhang, S, 2004)	0.32
" We conducted a National Cancer Institute-sponsored phase I trial to determine the feasibility of an intermittent dosing schedule of R115777 given orally twice daily on weeks 1 and 3 of a 28-day cycle in patients with malignant solid tumors."	( Intermittent dosing of the farnesyl transferase inhibitor tipifarnib (R115777) in advanced malignant solid tumors: a phase I California Cancer Consortium Trial. Doroshow, JH; Frankel, P; Gandara, DR; Gumerlock, PH; Kawaguchi, T; Lara, PN; Lau, DH; Law, LY; Lenz, HJ; Twardowski, P; Wright, JJ, 2005)	0.57
" The MTD was also evaluated on a chronic continuous dosing schedule (n = 6)."	( Phase I trial and pharmacokinetic study of the farnesyltransferase inhibitor tipifarnib in children with refractory solid tumors or neurofibromatosis type I and plexiform neurofibromas. Arceci, RJ; Balis, FM; Blaney, SM; End, D; Fox, E; Gillespie, A; Jayaprakash, N; Palumbo, JS; Pitney, A; Salzer, WL; Whitcomb, P; Widemann, BC; Zannikos, P, 2006)	0.56
" The 200 mg/m2/dose was also tolerable on the continuous dosing schedule."	( Phase I trial and pharmacokinetic study of the farnesyltransferase inhibitor tipifarnib in children with refractory solid tumors or neurofibromatosis type I and plexiform neurofibromas. Arceci, RJ; Balis, FM; Blaney, SM; End, D; Fox, E; Gillespie, A; Jayaprakash, N; Palumbo, JS; Pitney, A; Salzer, WL; Whitcomb, P; Widemann, BC; Zannikos, P, 2006)	0.56
"Oral tipifarnib is well tolerated in children receiving the drug twice daily for 21 days and a continuous dosing schedule at 200 mg/m2/dose, which is equivalent to the MTD in adults."	( Phase I trial and pharmacokinetic study of the farnesyltransferase inhibitor tipifarnib in children with refractory solid tumors or neurofibromatosis type I and plexiform neurofibromas. Arceci, RJ; Balis, FM; Blaney, SM; End, D; Fox, E; Gillespie, A; Jayaprakash, N; Palumbo, JS; Pitney, A; Salzer, WL; Whitcomb, P; Widemann, BC; Zannikos, P, 2006)	1.08
" Subsequent trials demonstrated that pauses in therapy (with staccato dosing schedules) seem to increase tolerability without a clear decrease in efficacy."	( Tipifarnib: farnesyl transferase inhibition at a crossroads. Mesa, RA, 2006)	1.78
"A phase II study was undertaken in patients with recurrent malignant glioma to determine the efficacy and safety of tipifarnib, a farnesyltransferase inhibitor, dosed at the respective maximum-tolerated dose (MTD) for patients receiving and not receiving enzyme-inducing antiepileptic drugs (EIAEDs)."	( Phase II trial of tipifarnib in patients with recurrent malignant glioma either receiving or not receiving enzyme-inducing antiepileptic drugs: a North American Brain Tumor Consortium Study. Abrey, L; Aldape, K; Chang, SM; Cloughesy, TF; DeAngelis, LM; Fink, KL; Gilbert, MR; Groves, MD; Junck, L; Kuhn, J; Lamborn, KR; Lieberman, F; Mehta, M; Prados, MD; Raizer, JJ; Robins, HI; Schiff, D; Wen, PY; Wright, J; Yung, WK, 2006)	0.88
" doses of tipifarnib, without a dose-response relationship."	( A phase I safety, pharmacological and biological study of the farnesyl protein transferase inhibitor, tipifarnib and capecitabine in advanced solid tumors. Cohen, RB; Eckhardt, SG; Gore, L; Gustafson, D; Holden, SN; Mikule, C; Morrow, M; O'Bryant, CL; Palmer, PA; Persky, M; Pierson, AS; Zhang, S, 2006)	0.95
" Further dosing was based on the individual day 5 pharmacokinetic data and absolute neutrophil count."	( Clinical and pharmacologic study of the farnesyltransferase inhibitor tipifarnib in cancer patients with normal or mildly or moderately impaired hepatic function. Beijnen, JH; Boot, H; Chang, I; Crul, M; De Porre, P; Schellens, JH; Siegel-Lakhai, WS; Zhang, S, 2006)	0.57
" However, an exposure-guided approach to dosage adjustment to limit haematological and nonhaematological toxicity is not warranted."	( Exposure-toxicity relationships for tipifarnib in cancer patients. Chen, W; Chow, A; Hayes, S; Perez-Ruixo, JJ; Zhang, S, 2007)	0.61
" There was no obvious dose-response relationship."	( Phase I study of alternate-week administration of tipifarnib in patients with myelodysplastic syndrome. Beran, M; Blascovich, MA; Bucher, C; Cortes, JE; Estey, EH; Giles, FJ; Kantarjian, HM; Kurzrock, R; Pilat, SR; Sebti, SM; Verstovsek, S; Wright, JJ, 2008)	0.6
" Future studies are warranted to examine alternative tipifarnib dosing and continuation beyond 16 cycles."	( Phase II trial of tipifarnib as maintenance therapy in first complete remission in adults with acute myelogenous leukemia and poor-risk features. Garrett-Mayer, E; Gojo, I; Gore, SD; Greer, J; Karp, JE; Klein, M; Lancet, JE; Levis, MJ; Morris, L; Smith, BD; Wright, JJ, 2008)	0.93
"After diagnostic surgery or biopsy, treatment with tipifarnib started 5 to 9 days before initiating radiotherapy, twice daily, in 4-week cycles using discontinuous dosing (21 out of 28 days), until toxicity or progression."	( A phase I trial of tipifarnib with radiation therapy, with and without temozolomide, for patients with newly diagnosed glioblastoma. Abrey, L; Chang, SM; Cloughesy, TF; DeAngelis, LM; Demopoulos, A; Drappatz, J; Fine, HA; Fink, K; Kesari, S; Lamborn, KR; Lassman, AB; Lieberman, FS; Malkin, MG; Mehta, MP; Nghiemphu, PL; Prados, MD; Robins, HI; Torres-Trejo, A; Wen, PY, 2011)	0.95
" Repeated dosing of LB42908 in rats did not significantly affect its own metabolism, indicating that long-term administration of LB42908 would not alter its pharmacokinetic profiles."	( Preclinical metabolism of LB42908, a novel farnesyl transferase inhibitor, and its effects on the cytochrome P450 isozyme activities. Aeri, K; Chang, M; Kim, HJ; Koh, JS; Lee, SH, 2012)	0.38
" The plasma exposure profiles for each compound following a single oral dose in mice and estimated exposure parameters after repeated twice-daily dosing for 20 days are also presented."	( Pharmacological characterization, structural studies, and in vivo activities of anti-Chagas disease lead compounds derived from tipifarnib. Bahia, MT; Buckner, FS; Charman, SA; Chatelain, E; Chennamaneni, NK; Gelb, MH; Hulverson, MA; Laydbak, JU; Lepesheva, GI; Scandale, I; Shackleford, DM; Suryadevara, PK; Verlinde, CL; White, KL, 2012)	0.58
" Tipifarnib was dosed orally twice daily."	( Tipifarnib in recurrent, metastatic HRAS-mutant salivary gland cancer. Aggarwal, R; Brose, M; Chau, NG; Cohen, EEW; Gualberto, A; Guenette, JP; Hanna, GJ; Ho, AL; Metcalf, R; Pérez-Ruiz, E; Razaq, M; Sayehli, CM; Scholz, C; Wilhelm, C; Wong, DJ, 2020)	2.91

Role	Description
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
EC 2.5.1.58 (protein farnesyltransferase) inhibitor	An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group.
apoptosis inducer	Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
[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
quinolone
monochlorobenzenes	Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine.
imidazoles	A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
primary amino compound	A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group.
[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)
Fumarate hydratase	Homo sapiens (human)	Potency	37.2212	0.0030	8.7949	48.0869	AID1347053
PPM1D protein	Homo sapiens (human)	Potency	18.5569	0.0052	9.4661	32.9993	AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	0.5355	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	5.8173	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
G	Vesicular stomatitis virus	Potency	0.1693	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	16.9330	0.0010	8.3798	61.1304	AID1645840
polyprotein	Zika virus	Potency	37.2212	0.0030	8.7949	48.0869	AID1347053
Interferon beta	Homo sapiens (human)	Potency	13.9600	0.0033	9.1582	39.8107	AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	0.1693	0.0123	8.9648	39.8107	AID1645842
Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus	Potency	39.8107	0.0096	10.5250	35.4813	AID1479145
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	0.1693	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	0.1693	0.0123	8.9648	39.8107	AID1645842
[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 B, Protein farnesyltransferase beta subunit	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0007	0.0007	0.0007	0.0007	AID977608
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	2.8800	0.0001	1.7536	10.0000	AID394828; AID480595
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)	IC50 (µMol)	1.6003	0.0005	0.2819	1.1000	AID240944; AID240946; AID240979; AID241103; AID241152; AID241204; AID241722; AID241723; AID72677
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)	IC50 (µMol)	6.4557	0.0005	0.4716	10.0000	AID1121276; AID1121277; AID1371356; AID1371357; AID71309; AID72949; AID72950; AID72954; AID73400; AID74813; AID74925
Protein farnesyltransferase subunit beta	Bos taurus (cattle)	IC50 (µMol)	0.0006	0.0005	0.1183	1.1000	AID240944; AID240946; AID240979; AID72677
Protein farnesyltransferase subunit beta	Homo sapiens (human)	IC50 (µMol)	0.0019	0.0005	0.2177	2.5000	AID1121277; AID1371356; AID71309; AID72949; AID72950; AID72954; AID73400
Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)	IC50 (µMol)	17.7500	0.0073	2.3642	10.0000	AID1121276; AID1371357; AID74813; AID74925
Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)	IC50 (µMol)	2.8800	0.0007	0.6618	1.1000	AID241103; AID241152; AID241204; AID241722; AID241723
Protein farnesyltransferase alpha subunit	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	0.0170	0.0170	0.0170	0.0170	AID242512
CAAX farnesyltransferase subunit beta	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	0.0170	0.0170	0.0170	0.0170	AID242512
[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)
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Mus musculus (house mouse)	EC50 (µMol)	0.0262	0.0016	0.0338	0.1000	AID246037; AID246378; AID246431; AID246432
Protein farnesyltransferase subunit beta	Mus musculus (house mouse)	EC50 (µMol)	0.0262	0.0016	0.0338	0.1000	AID246037; AID246378; AID246431; AID246432
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 3A4	Homo sapiens (human)
lipid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
androgen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
calcitriol biosynthetic process from calciol	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 3A4	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 3A4	Homo sapiens (human)
protein farnesylation	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
protein geranylgeranylation	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
transforming growth factor beta receptor signaling pathway	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein farnesylation	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein geranylgeranylation	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
positive regulation of Rac protein signal transduction	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
skeletal muscle acetylcholine-gated channel clustering	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
positive regulation of tubulin deacetylation	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
positive regulation of deacetylase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
positive regulation of skeletal muscle acetylcholine-gated channel clustering	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
lipid metabolic process	Protein farnesyltransferase subunit beta	Bos taurus (cattle)
protein farnesylation	Protein farnesyltransferase subunit beta	Bos taurus (cattle)
lipid metabolic process	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein farnesylation	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein geranylgeranylation	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
protein geranylgeranylation	Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
steroid binding	Cytochrome P450 3A4	Homo sapiens (human)
iron ion binding	Cytochrome P450 3A4	Homo sapiens (human)
protein binding	Cytochrome P450 3A4	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid 4-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxygen binding	Cytochrome P450 3A4	Homo sapiens (human)
enzyme binding	Cytochrome P450 3A4	Homo sapiens (human)
heme binding	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D3 25-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
quinine 3-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
testosterone 6-beta-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
aromatase activity	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1,8-cineole 2-exo-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
protein farnesyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
protein geranylgeranyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
protein farnesyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein farnesyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein geranylgeranyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
Rab geranylgeranyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein binding	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
microtubule binding	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
receptor tyrosine kinase binding	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
alpha-tubulin binding	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
molecular adaptor activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase activity	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein farnesyltransferase activity	Protein farnesyltransferase subunit beta	Bos taurus (cattle)
zinc ion binding	Protein farnesyltransferase subunit beta	Bos taurus (cattle)
protein farnesyltransferase activity	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein farnesyltransferase activity	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein binding	Protein farnesyltransferase subunit beta	Homo sapiens (human)
zinc ion binding	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein geranylgeranyltransferase activity	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase activity	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
protein binding	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
zinc ion binding	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase activity	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
protein geranylgeranyltransferase activity	Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)
CAAX-protein geranylgeranyltransferase activity	Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)
zinc ion binding	Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cytoplasm	Cytochrome P450 3A4	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 3A4	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 3A4	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase complex	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
protein farnesyltransferase complex	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Bos taurus (cattle)
cytosol	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
plasma membrane	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase complex	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
microtubule associated complex	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein farnesyltransferase complex	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
cytoplasm	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Homo sapiens (human)
protein farnesyltransferase complex	Protein farnesyltransferase subunit beta	Bos taurus (cattle)
cytosol	Protein farnesyltransferase subunit beta	Homo sapiens (human)
microtubule associated complex	Protein farnesyltransferase subunit beta	Homo sapiens (human)
protein farnesyltransferase complex	Protein farnesyltransferase subunit beta	Homo sapiens (human)
CAAX-protein geranylgeranyltransferase complex	Geranylgeranyl transferase type-1 subunit beta	Homo sapiens (human)
virion membrane	Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus
CAAX-protein geranylgeranyltransferase complex	Geranylgeranyl transferase type-1 subunit beta	Bos taurus (cattle)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (103)

Assay ID	Title	Year	Journal	Article
AID394835	Inhibition of human sterol 14-alpha-demethylase assessed as drug/enzyme molar ratio required to produce 50 percent decrease in turnover number	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID394831	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes infected in BALB/c mouse assessed as suppression of parasitemia at 100 mg/kg, po twice a day after 7 days of infection for 8 to 13 days and 50 mg/kg, po for 14 to 27 days measure	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID18857	Percent of free circulating fraction of compound in plasma	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID1893927	Antiproliferative activity against human Capan-2 cells harboring KRAS 12 mutation assessed as inhibition of cell growth incubated for 4 to 7 days	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID394837	Terminal half life in po dosed human administered twice a day	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID246842	Effective dose against Plasmodium falciparum	2005	Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11	Protein farnesyltransferase inhibitors exhibit potent antimalarial activity.
AID72677	In vitro inhibitory activity against farnesyltransferase (FTase)	2003	Bioorganic & medicinal chemistry letters, Apr-07, Volume: 13, Issue:7	Novel and selective imidazole-containing biphenyl inhibitors of protein farnesyltransferase.
AID241669	Inhibitory concentration against Protein farnesyltransferase of Trypanosoma cruzi	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	The protein farnesyltransferase inhibitor Tipifarnib as a new lead for the development of drugs against Chagas disease.
AID144130	In vivo inhibition of T24H-ras NIH3T3 tumor growth in mice	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.
AID241152	Inhibition of bovine Geranylgeranyltransferase	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Synthesis and activity of 1-aryl-1'-imidazolyl methyl ethers as non-thiol farnesyltransferase inhibitors.
AID241103	Inhibition of Bovine geranylgeranyltransferase (GGT)	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
AID668025	Drug excretion in human urine	2012	Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9	Preclinical metabolism of LB42908, a novel farnesyl transferase inhibitor, and its effects on the cytochrome P450 isozyme activities.
AID1371357	Inhibition of GGTase1 isolated from Kirsten virus-transformed human osteosarcoma cells using biotin-YRASNRSCAIL peptide as substrate after 120 mins in presence of [ 1-[ 3 H](n)]geranylgeranylpyrophosphate by scintillation proximity assay	2018	Journal of medicinal chemistry, 04-26, Volume: 61, Issue:8	Interrogating the Roles of Post-Translational Modifications of Non-Histone Proteins.
AID72954	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID241321	Inhibition of bovine farnesyl transferase in presence of Tipifarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID241204	Inhibition of bovine geranylgeranyl transferase	2005	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 15, Issue:8	Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors.
AID115031	In vivo inhibition of T24ras-NIH3T3 tumor growth at 25 mg/kg in mice	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID526660	Inhibition of FTase	2010	Journal of medicinal chemistry, Oct-14, Volume: 53, Issue:19	Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives.
AID241722	Inhibition of bovine geranylgeranyl transferase type I in presence of Lonafarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID72949	Inhibition of [3H]FPP incorporation into biotinylated lamin B peptide by farnesyl transferase	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.
AID74925	Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]GGPP into biotin YRASNRSCAIL substrate	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID143961	In vivo inhibition of T24H-ras-NIH3T3 cell proliferation in mice	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.
AID480594	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infected in rat 3T3 cells after 7 days by alamar blue assay	2010	Journal of medicinal chemistry, May-27, Volume: 53, Issue:10	Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.
AID1121276	Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl	2013	MedChemComm, Mar, Volume: 4, Issue:3	Prenyltransferase Inhibitors: Treating Human Ailments from Cancer to Parasitic Infections.
AID246432	Inhibition of Ras processing in H-ras transformed NIH3T3 cells in presence of Tipifarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID241320	Inhibition of bovine farnesyl transferase in presence of Lonafarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID1893925	Antiproliferative activity against human HT1197 cells harboring HRAS 61 mutation assessed as inhibition of cell growth incubated for 4 to 7 days	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID73400	Inhibitory concentration against farnesyltransferase was determined	2004	Journal of medicinal chemistry, Apr-08, Volume: 47, Issue:8	Inhibitors of farnesyltransferase: a rational approach to cancer chemotherapy?
AID480595	Inhibition of human recombinant CYP3A4	2010	Journal of medicinal chemistry, May-27, Volume: 53, Issue:10	Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.
AID668026	Drug excretion in human feces	2012	Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9	Preclinical metabolism of LB42908, a novel farnesyl transferase inhibitor, and its effects on the cytochrome P450 isozyme activities.
AID246037	Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
AID89668	Percent metabolization remaining after 120 min incubation in human liver microsomes	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.
AID143839	T24H-ras-transformed NIH3T3 cell proliferation	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.
AID74813	Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]GGPP into biotinYRASNRSCAIL peptide	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.
AID246839	Inhibition of Trypanosoma cruzi growth	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	The protein farnesyltransferase inhibitor Tipifarnib as a new lead for the development of drugs against Chagas disease.
AID1121277	Inhibition of human recombinant FTase using [3H]farnesyldiphosphate	2013	MedChemComm, Mar, Volume: 4, Issue:3	Prenyltransferase Inhibitors: Treating Human Ailments from Cancer to Parasitic Infections.
AID143947	In vitro inhibition of NIH3T3 cell proliferation	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.
AID1893923	Inhibition of human FPTase using K-RasB peptide as a substrate assessed as inhibition of substrate farnesylation	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID143956	Inhibition of T24F1H-ras-transformation in NIH 3T3 cells	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID72950	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.
AID1659669	Inhibition of C-terminal His6-tagged human recombinat FTase expressed in Escherichia coli BL21 RIL (DE3) cells using Dansyl-GCVLS peptide and farnesyl pyrophosphate as substrate measured for 15 mins by fluorimetric analysis	2020	Bioorganic & medicinal chemistry letters, 06-01, Volume: 30, Issue:11	Ultrasounds-mediated 10-seconds synthesis of chalcones as potential farnesyltransferase inhibitors.
AID394828	Inhibition of human recombinant CYP3A4	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID240979	Inhibition of bovine farnesyltransferase	2005	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 15, Issue:8	Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors.
AID394834	Inhibition of Trypanosoma cruzi recombinant sterol 14-alpha-demethylase assessed as drug/enzyme molar ratio required to produce 50 percent decrease in turnover number	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID7802	Percent of compound remaining after 120 min of Metabolization upon incubation with human liver microsomes	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID480593	Inhibition of rat recombinant PFT expressed in insect Sf9 cells by scintillation proximity assay	2010	Journal of medicinal chemistry, May-27, Volume: 53, Issue:10	Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.
AID1371356	Inhibition of FTase isolated from Kirsten virus-transformed human osteosarcoma cells using K-rasB peptide as substrate in presence of [3H]farnesyl PPi by scintillation proximity assay	2018	Journal of medicinal chemistry, 04-26, Volume: 61, Issue:8	Interrogating the Roles of Post-Translational Modifications of Non-Histone Proteins.
AID242512	Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparum farnesyltransferase	2005	Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11	Protein farnesyltransferase inhibitors exhibit potent antimalarial activity.
AID240944	Inhibition of Bovine farnesyltransferase (FTase)	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
AID89532	Compound tested for metabolism and expressed as percentage of parent drug remaining after 120 min incubation with human liver microsomes.	2003	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24	Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.
AID1893928	Antiproliferative activity against human NCI-H441 cells harboring KRAS 12 mutation assessed as inhibition of cell growth incubated for 4 to 7 days	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID251753	Percent inhibition of H-ras processing in transformed NIH3T3 cells at 100 nM	2005	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 15, Issue:8	Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors.
AID438901	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in mouse 3T3 cells	2009	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23	Isoquinoline-based analogs of the cancer drug clinical candidate tipifarnib as anti-Trypanosoma cruzi agents.
AID144123	Effective concentration against Ha-RAS processing in NIH3T3 ras-transformed cells	2003	Bioorganic & medicinal chemistry letters, Apr-07, Volume: 13, Issue:7	Novel and selective imidazole-containing biphenyl inhibitors of protein farnesyltransferase.
AID1893926	Antiproliferative activity against human SU-86-86 cells harboring KRAS 12 mutation assessed as inhibition of cell growth incubated for 4 to 7 days	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID394826	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes expressing beta-galactosidase in mouse 3T3 fibroblast after 7 days by alamar blue assay	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID394827	Ratio of IC50 for rat recombinant protein farnesyltransferase to EC50 for Trypanosoma cruzi Tulahuen expressing beta-galactosidase	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
AID503917	Selectivity for protein farnesyltransferase over GGTase1	2006	Nature chemical biology, Oct, Volume: 2, Issue:10	Therapeutic intervention based on protein prenylation and associated modifications.
AID71309	Inhibition of Farnesyltransferase	2004	Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3	Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors.
AID240946	Inhibition of bovine farnesyltransferase	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Synthesis and activity of 1-aryl-1'-imidazolyl methyl ethers as non-thiol farnesyltransferase inhibitors.
AID241723	Inhibition of bovine geranylgeranyl transferase type I in presence of Tipifarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID246378	Inhibition of H-Ras transformed NIH-3T3-cell proliferation	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Synthesis and activity of 1-aryl-1'-imidazolyl methyl ethers as non-thiol farnesyltransferase inhibitors.
AID1893924	Competitive inhibition of human FPTase using K-RasB peptide as a substrate assessed as inhibition constant by Scintillation proximity assay	2021	European journal of medicinal chemistry, Feb-05, Volume: 211	Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.
AID246431	Inhibition of Ras processing in H-ras transformed NIH3T3 cells in presence of Lonafarnib	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.
AID394825	Inhibition of rat recombinant protein farnesyltransferase expressed in Sf9 cells by [3H]-scintillation proximity assay	2009	Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6	Rational modification of a candidate cancer drug for use against Chagas disease.
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.
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.
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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID686947	qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Identification of potent Yes1 kinase inhibitors using a library screening approach.
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.
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.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Highly predictive and interpretable models for PAMPA permeability.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1347412	qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation	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.
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.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1346248	Human farnesyltransferase, CAAX box, beta (2.5.1.58 Protein farnesyltransferase)	2003	Bioorganic & medicinal chemistry letters, May-05, Volume: 13, Issue:9	5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors.
AID1346248	Human farnesyltransferase, CAAX box, beta (2.5.1.58 Protein farnesyltransferase)	2001	Cancer research, Jan-01, Volume: 61, Issue:1	Characterization of the antitumor effects of the selective farnesyl protein transferase inhibitor R115777 in vivo and in vitro.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (0.33)	18.2507
2000's	197 (64.59)	29.6817
2010's	81 (26.56)	24.3611
2020's	26 (8.52)	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	92 (29.77%)	5.53%
Reviews	59 (19.09%)	6.00%
Case Studies	8 (2.59%)	4.05%
Observational	0 (0.00%)	0.25%
Other	150 (48.54%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (88)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
A Randomized Phase II Trial of BAY 43-9006 (Sorafenib; NSC-724772) With Either CCI-779 (Temsirolimus; NSC-683864) or R115777 (Tipifarnib; NSC-702818) in Metastatic Melanoma [NCT00281957]	Phase 2	109 participants (Actual)	Interventional	2007-08-31	Completed
An Open Label Phase II Study of Tipifarnib in Subjects With Relapsed or Refractory Peripheral T-Cell Lymphoma [NCT02464228]	Phase 2	65 participants (Actual)	Interventional	2015-10-08	Completed
A Phase III Randomized Study of Farnesyl Transferase Inhibitor R115777 in Acute Myeloid Leukemia (AML) Patients in Second or Subsequent Remission or in Remission After Primary Induction Failure or Patients Over Age 60 in First Remission [NCT00093470]	Phase 3	144 participants (Actual)	Interventional	2004-08-18	Completed
A Phase 1/2 Open-label, Biomarker-defined Cohort Trial to Evaluate the Safety, Determine the Recommended Combination Dosing, and Assess Early Antitumor Activity of Tipifarnib and Alpelisib for the Treatment of Adult Participants Who Have HRAS-overexpressi [NCT04997902]	Phase 1/Phase 2	40 participants (Anticipated)	Interventional	2021-12-07	Recruiting
A Phase I Protocol of the Combination Bortezomib and Tipifarnib for Relapsed or Refractory Multiple Myeloma [NCT00972712]	Phase 1	12 participants (Actual)	Interventional	2006-12-31	Completed
Phase 2 Trial of R115777 in Previously Untreated Older Adults With AML and Baseline Presence of a Specific 2-Gene Expression Signature Ratio [NCT01361464]	Phase 2	21 participants (Actual)	Interventional	2011-05-31	Completed
Phase I/II Trial of R115777 and XRT in Pediatric Patients With Newly Diagnosed Non-Disseminated Intrinsic Diffuse Brainstem Gliomas [NCT00079339]	Phase 1/Phase 2	51 participants (Actual)	Interventional	2004-01-31	Completed
A Phase II Randomized, Cross-Over, Double-Blinded, Placebo-Controlled Trial of the Farnesyltransferase Inhibitor R115777 in Pediatric Patients With Neurofibromatosis Type I and Progressive Plexiform Neurofibromas [NCT00021541]	Phase 2	62 participants (Actual)	Interventional	2001-07-17	Completed
An Open Label Phase II Study of Tipifarnib in Advanced Squamous Non-small Cell Lung Cancer With HRAS Mutations [NCT03496766]	Phase 2	9 participants (Actual)	Interventional	2018-05-07	Active, not recruiting
Phase I/II Studies of BAY 43-9006 (Sorafenib) in Combination With OSI-774 (Erlotinib), R115777 (Tipifarnib) or CCI-779 (Temsirolimus) in Patients With Recurrent Glioblastoma Multiforme or Gliosarcoma [NCT00335764]	Phase 1/Phase 2	92 participants (Actual)	Interventional	2006-04-30	Completed
Phase 1 Study of Tipifarnib and Osimertinib in EGFR-mutated Non-Small Cell Lung Cancer [NCT05693090]	Phase 1	0 participants (Actual)	Interventional	2023-02-01	Withdrawn(stopped due to This study was withdrawn due to a strategic business decision; no patients were enrolled.)
A Phase 2 Study of Tipifarnib in Subjects With Chronic Myelomonocytic Leukemia, Other Myelodysplastic /Myeloproliferative Neoplasias, and Acute Myeloid Leukemia [NCT02807272]	Phase 2	45 participants (Actual)	Interventional	2016-10-31	Completed
An Open Label Phase II Study of Tipifarnib in Patients With Previously-Treated, Advanced, HRAS Mutant Urothelial Carcinoma [NCT02535650]	Phase 2	19 participants (Actual)	Interventional	2015-11-12	Active, not recruiting
A Phase II Trial of R115777 (NSC #702818) in Patients With Advanced Pancreas Cancer [NCT00005832]	Phase 2	58 participants (Actual)	Interventional	2000-06-30	Completed
Phase I/II Trial of R115777 in Patients With Recurrent Malignant Glioma [NCT00005859]	Phase 1/Phase 2	136 participants (Actual)	Interventional	2000-05-16	Completed
A Dose Finding Study of R115777 (NSC 702818) in Patients With Advanced Hematologic Malignancies [NCT00005967]	Phase 1	36 participants (Actual)	Interventional	2000-08-31	Completed
A Phase II Study of Farnesyl Transferase Inhibitor R115777 in Patients With Advanced Non-Small Cell Lung Cancer [NCT00005989]	Phase 2	0 participants	Interventional	2002-11-30	Completed
A Phase II Trial of R115777, an Oral Farnesyltransferase Inhibitor (FTI) in Previously Untreated Patients With Advanced Urothelial Tract Transitional Cell Carcinoma [NCT00006376]	Phase 2	0 participants	Interventional	2000-03-31	Completed
Phase II Trial of R115777 (NSC-702818), an Inhibitor of Farnesyl Protein Transferase, in Patients With Previously Untreated Metastatic Pancreatic Adenocarcinoma [NCT00005843]	Phase 2	40 participants (Actual)	Interventional	2000-05-31	Completed
A Phase II Trial of R115777 (NSC #702818) in Patients With Advanced Colorectal Cancer [NCT00005833]	Phase 2	62 participants (Actual)	Interventional	2000-06-30	Completed
A Phase I, Pharmacokinetic, and Biologic Correlative Study of R115777 (NSC 702818) and Herceptin in Patients With Advanced Cancer [NCT00005842]	Phase 1	24 participants (Actual)	Interventional	2000-06-30	Completed
Phase I Study of the Farnesyl Transferase Inhibitor R115777 (NSC #702818) in Patients With Myelodysplastic Syndrome [NCT00005845]	Phase 1	65 participants (Actual)	Interventional	2002-06-30	Completed
Phase II Trial of R115777 (NSC 702818) an Inhibitor of Farnesyl Protein Transferase, in Patients With Hormone Refractory Prostate Cancer [NCT00005848]	Phase 2	7 participants (Actual)	Interventional	2000-04-30	Completed
A Phase II Trial of Capecitabine in Combination With the Farnesyltransferase Inhibitor, R115777 (Tipifarnib, Zarnestra) in Patients With Metastatic Breast Cancer [NCT00077363]	Phase 2	70 participants (Actual)	Interventional	2004-05-31	Completed
[NCT00006199]	Phase 1	0 participants	Interventional		Recruiting
A Phase I, Open-label Clinical Pharmacology Study to Evaluate the Effect of Tipifarnib on Cardiac Safety in Subjects With Advanced Solid Malignancies [NCT04865159]	Phase 1	6 participants (Actual)	Interventional	2021-05-06	Terminated(stopped due to Study terminated due to recruitment challenges)
A Phase I Trial and Pharmacokinetic Study of R115777 in Pediatric Patients With Refractory Leukemia [NCT00022451]	Phase 1	0 participants	Interventional	2001-06-30	Completed
NCI-COG Pediatric MATCH (Molecular Analysis for Therapy Choice)- Phase 2 Subprotocol of Tipifarnib in Patients With Tumors Harboring HRAS Genomic Alterations [NCT04284774]	Phase 2	49 participants (Anticipated)	Interventional	2020-10-13	Recruiting
Phase II Studies of Two Different Schedules and Two Different Doses of the Farnesyl Transferase Inhibitor R115777 (Tipifarnib, Zarnestra®, NSC-702818) for Previously Untreated Acute Myeloid Leukemia (AML) in Patients of Age 70 or Older [NCT00093418]	Phase 2	296 participants (Actual)	Interventional	2004-09-30	Completed
A Randomized Phase II Trial of Tipifarnib (R115777, ZARNESTRA, NSC #702818) in Combination With Oral Etoposide (VP-16) in Elderly Adults With Newly Diagnosed, Previously Untreated Acute Myelogenous Leukemia (AML) [NCT00602771]	Phase 2	84 participants (Actual)	Interventional	2008-01-31	Completed
A Phase 2 Study Evaluating the Efficacy of the Farnesyl Transferase Inhibitor (FTI) R115777 in Patients With Refractory or Relapsed Acute Myeloid Leukemia (AML) [NCT00354146]	Phase 2	252 participants (Actual)	Interventional	2001-04-30	Completed
Phase I Trial of R115777 With Radiation Therapy and Temozolomide in Patients With Newly Diagnosed Glioblastoma Multiforme [NCT00049387]	Phase 1	19 participants (Actual)	Interventional	2002-09-30	Completed
Phase II, Open-Label, Multi-centre, 2-part Study to Assess the Safety, Tolerability, and Efficacy of Tipifarnib Plus Bortezomib in the Treatment of Newly Diagnosed Acute Myeloid Leukemia (AML) Unfit for Conventional Chemotherapy ( >18 Years) or in Patient [NCT00510939]	Phase 2	72 participants (Anticipated)	Interventional	2007-03-31	Recruiting
Phase I Study of Tipifarnib (R115777) and Sorafenib (BAY 43-9006) in Patients With Biopsiable Advanced Cancers [NCT00244972]	Phase 1	74 participants (Actual)	Interventional	2005-10-31	Completed
A Phase I Trial of the Farnesyltransferase Inhibitor, R115777 (NSC# 702818) and Radiotherapy in Patients With Locally Advanced Pancreatic Cancer [NCT00077519]	Phase 1	18 participants (Anticipated)	Interventional	2004-01-31	Completed
Phase I Trial of R115777 and OSI-774 in Patients With Advanced Solid Tumors [NCT00085553]	Phase 1	29 participants (Actual)	Interventional	2004-05-20	Completed
A Randomized Study of Tipifarnib Versus Best Supportive Care (Including Hydroxyurea) in the Treatment of Newly Diagnosed Acute Myeloid Leukemia (AML) in Subjects 70 Years or Older (Farnesyl Transferase Inhibition Global Human Trials AML 301 [F.I.G.H.T. AM [NCT00093990]	Phase 3	457 participants (Actual)	Interventional	2004-01-31	Completed
A Phase I Study of R115777 (Zarnestra) in Combination With Induction Chemotherapy in Patients With Newly Diagnosed, High Risk Acute Myeloid Leukemia [NCT00124644]	Phase 1	30 participants	Interventional	2006-03-31	Terminated(stopped due to "Withdrawn due to toxicity problems")
A Phase I Study Of Therapy With The Farnesyl Transferase Inhibitor R115777 (Zarnestra) Combined With Conventional Induction And Consolidation Chemotherapy For Previously Untreated Patients Over Age 55 With Acute Myeloid Leukemia (AML) [NCT00101153]	Phase 1	24 participants (Actual)	Interventional	2007-04-30	Completed
A Programme of Treatment Development for Older Patients With Acute Myeloid Leukemia and High Risk Myelodysplastic Syndrome [NCT00454480]	Phase 2/Phase 3	2,000 participants (Anticipated)	Interventional	2006-08-31	Completed
A Phase I Trial of Oral Etoposide in Combination With the Farnesyltransferase Inhibitor R115777 (ZARNESTRA, Tipifarnib, NSC #702818, IND #58,359) in Elderly Adults With Newly Diagnosed Acute Myelogenous Leukemia (AML) [NCT00112853]	Phase 1	100 participants (Actual)	Interventional	2005-03-31	Completed
A 2 Cohort, Non-comparative, Pivotal Study Evaluating the Efficacy of Tipifarnib in Patients With Head and Neck Squamous Cell Carcinoma (HNSCC) With HRAS Mutations (AIM-HN) and the Impact of HRAS Mutations on Response to First Line Systemic Therapies for [NCT03719690]	Phase 2	284 participants (Anticipated)	Interventional	2018-11-05	Active, not recruiting
Phase I and Pharmacokinetic Study of the Farnesyl Transferase Inhibitor, R115777, in Combination With Topotecan [NCT00005990]	Phase 1	0 participants	Interventional	2000-08-31	Completed
An Adaptive Phase 2 Study of Tipifarnib in Subjects With Transfusion-dependent, Very Low, Low, or Intermediate Risk Myelodysplastic Syndromes [NCT02779777]	Phase 2	16 participants (Actual)	Interventional	2016-05-31	Terminated(stopped due to Lack of efficacy)
Gemcitabine and R115777 Combination Therapy for Metastatic Breast Cancer [NCT00100750]	Phase 1/Phase 2	31 participants (Actual)	Interventional	2005-09-30	Completed
Phase I Trial of R115777 (NSC 702818) in Relapsed, Refractory or High Risk Myeloid Leukemia [NCT00101296]	Phase 1	30 participants (Actual)	Interventional	2004-10-31	Completed
A Phase I Trial of Farnesyltransferase Inhibitor, R115777 (NSC # 702818) and Radiotherapy in Patients With Non-Small Cell Lung Cancer [NCT00025480]	Phase 1	12 participants (Anticipated)	Interventional	2001-08-31	Completed
A Randomized Phase II Trial of Weekly Gemcitabine, Paclitaxel and External Irradiation (50.4 GY) Followed by the Farnesyl Transferase Inhibitor R115777 (NSC #702818) for Locally Advanced Pancreatic Cancer [NCT00026104]	Phase 2	154 participants (Actual)	Interventional	2001-11-30	Completed
Phase I Study of Zarnestra (R115777.USA30) and Gleevec (Imatinib Mesylate) in Chronic Phase Chronic Myelogenous Leukemia (CML) [NCT00040105]	Phase 1	26 participants (Actual)	Interventional	2002-10-31	Completed
A Phase I-II Study of R115777 (ZARNESTRA) Plus Doxorubicin and Cyclophosphamide in Patients With Locally Advanced Breast Cancer and Metastatic Breast Cancer [NCT00049114]	Phase 2	62 participants (Actual)	Interventional	2003-02-28	Completed
Phase Ib/II Neoadjuvant Trial of the Farnesyltransferase Inhibitor, R115777 With Docetaxel and Capecitabine for Patients With Stage IIIA or IIIB Breast Cancer [NCT00070252]	Phase 1/Phase 2	53 participants (Actual)	Interventional	2003-09-30	Completed
A Phase II Study of R115777 (Zarnestra) (NSC # 702818, IND# 58,359) in Children With Recurrent or Progressive: High Grade Glioma, Medulloblastoma/PNET or Brainstem Glioma [NCT00070525]	Phase 2	90 participants (Anticipated)	Interventional	2003-11-30	Completed
Phase II Evaluation of FTI (R115777) (NSC 702818) in Treatment of Advanced Multiple Myeloma [NCT00012350]	Phase 2	44 participants (Actual)	Interventional	2001-01-31	Completed
Phase II Window Evaluation of the Farnesyl Transferase Inhibitor (R115777) Followed by 13-CIS Retinoic Acid, Cytosine Arabinoside and Fludarabine Plus Hematopoietic Stem Cell Transplantation in Children With Juvenile Myelomonocytic Leukemia [NCT00025038]	Phase 2	100 participants (Actual)	Interventional	2001-06-30	Completed
A Phase II Study Evaluating the Efficacy and Safety of the Farnesyl-transferase Inhibitor ZARNESTRA® in Patients With Relapsed, Refractory or Progressive Mantle Cell Lymphoma Not Appropriate for Autologous Bone Marrow Transplantation [NCT00847223]	Phase 2	11 participants (Actual)	Interventional	2007-06-30	Terminated(stopped due to Inefficiency of treatment)
An Open-Label, Phase 2 Study to Evaluate the Efficacy and Safety of the Farnesyl-Transferase Inhibitor ZARNESTRA(tm) (R115777) in Subjects With High-Risk Myelodysplastic Syndrome (MDS) [NCT00050154]	Phase 2	82 participants (Actual)	Interventional	2002-07-31	Completed
A Phase II Trial Of Tipifarnib (R15777, ZARNESTRA) In Combination With Tamoxifen In Subjects With Metastatic Breast Cancer [NCT00052728]	Phase 2	0 participants	Interventional	2002-12-31	Completed
Phase I Trial of R115777 (NSA 702818) in Advanced Malignant Solid Tumors [NCT00025454]	Phase 1	0 participants	Interventional	2001-08-31	Completed
A Phase II Study of Farnesyl Transferase Inhibitor R115777 (Zarnestra) (R115777 ( Zarnestra), Tipifarnib, R115777, NSC #702818) in Elderly Patients With Previously Untreated Poor-Risk Acute Myeloid Leukemia [NCT00027872]	Phase 2	125 participants (Actual)	Interventional	2001-10-31	Completed
Phase I/II Trial to Assess the Radiosensitizing Effect of ZARNESTRA in Patients With Glioblastoma Multiforme [NCT00209989]	Phase 2	27 participants (Actual)	Interventional	2005-10-31	Completed
Open, Single-Arm Phase II Study Assessing Efficacy of ZARNESTRA™ Combined With Tamoxifen in Patients With Advanced or Metastatic Breast Cancer Expressing the Estrogen and/or Progesterone Receptor [NCT00210028]	Phase 2	40 participants	Interventional	2003-08-31	Terminated
A Phase II Study of R115777 (Zarnestra) in Superficial Transitional Cell Carcinoma of Bladder [NCT00047216]	Phase 2	0 participants	Interventional	2002-11-30	Completed
An Open-label, Phase 2 Study of the Farnesyl Transferase Inhibitor ZARNESTRA (R115777) as Post-consolidation Therapy for Acute Myeloid Leukemia (AML) in Patients Age 60 Years and Older. [NCT00048503]	Phase 2	88 participants (Actual)	Interventional	2002-06-30	Completed
A Randomised, Blinded, Phase 2 Study of Letrozole Plus the Farnesyl Transferase Inhibitor ZARNESTRA TM (R115777) and Letrozole Plus Placebo in the Treatment of Advanced Breast Cancer After Antiestrogen Therapy. [NCT00050141]	Phase 2	121 participants (Actual)	Interventional	2002-09-30	Completed
A Phase II Study of the Farnesyltransferase Inhibitor ZARNESTRA (Tipifarnib, R115777, NSC #702818, IND #58,359) in Complete Remission Following Induction and/or Consolidation Chemotherapy in Adults With Poor-Risk Acute Myelogenous Leukemia (AML) and High- [NCT00045396]	Phase 2	44 participants (Anticipated)	Interventional	2002-06-30	Completed
A Phase II Evaluation Of The Efficacy And Safety Of R115777 (NSC702818) A Non-Peptidomimetic Farnesyl Transferase Inhibitor, And Trastuzumab In Patients With Advanced Breast Cancer [NCT00054470]	Phase 2	0 participants (Actual)	Interventional	2002-12-31	Withdrawn
A Phase II Trial of R115777, a Farnesyl Transferase Inhibitor, in Combination With Gemcitabine and Cisplatin in Advanced Non-Small Cell Lung Cancer (NSCLC) [NCT00055757]	Phase 2	48 participants (Actual)	Interventional	2003-10-31	Completed
Phase II Study of R115777 for the Treatment of Adults With Newly Diagnosed Glioblastoma Multiforme [NCT00058097]	Phase 2	54 participants (Anticipated)	Interventional	2003-08-31	Completed
A Phase II Trial of R115777 in Myelofibrosis With Myeloid Metaplasia (MMM) [NCT00047190]	Phase 2	35 participants (Actual)	Interventional	2002-08-31	Completed
PHASE II TRIAL OF R115777 IN PATIENTS WITH METASTATIC MALIGNANT MELANOMA [NCT00060125]	Phase 2	40 participants (Actual)	Interventional	2003-05-31	Completed
Phase I/II Evaluation Temozolomide and Farnesyl Transferase Inhibitor ZARNESTRA (R115777) for the Treatment of Recurrent and Progressive Glioblastoma Multiforme [NCT00050986]	Phase 1/Phase 2	55 participants (Actual)	Interventional	2002-12-31	Completed
A Dose Escalation Study of R115777 (Zarnestra) Combined With Velcade® (PS-341) in Patients With Relapsed Multiple Myeloma. [NCT00243035]	Phase 1/Phase 2	64 participants (Anticipated)	Interventional	2005-08-31	Terminated
Phase II Evaluation of FTI (R115777) in Treatment of Relapsed and Refractory Lymphoma [NCT00082888]	Phase 2	93 participants (Actual)	Interventional	2004-03-24	Completed
A Phase II Trial of Tipifarnib (R115777, Zarnestra™) in Combination With Fulvestrant (Faslodex®) in Postmenopausal Hormone Receptor-Positive Breast Cancer [NCT00082810]	Phase 2	33 participants (Actual)	Interventional	2004-03-31	Completed
NCI-COG Pediatric MATCH (Molecular Analysis for Therapy Choice) Screening Protocol [NCT03155620]	Phase 2	2,316 participants (Anticipated)	Interventional	2017-07-31	Recruiting
PHASE I-II STUDY OF IDARUBICIN, CYTARABINE AND R115777 (TIPIFARNIB, ZARNESTRA; 702818; IND 58359), A FARNESYLTRANSFERASE INHIBITOR, IN PATIENTS WITH HIGH-RISK MYELODYSPLASTIC SYNDROMES AND ACUTE MYELOID LEUKEMIAS [NCT00096122]	Phase 1/Phase 2	95 participants (Actual)	Interventional	2004-09-30	Completed
A Phase I Dose-Escalation Study of R115777 (Tipifarnib) Plus PS-341 (Bortezomib) in Relapsed or Refractory Acute Leukemias [NCT00383474]	Phase 1	35 participants (Actual)	Interventional	2006-08-31	Completed
Phase I/II Study of Tipifarnib [Zarnestra, Farnesyltransferase Inhibitor R115777 (NSC 702818)] in Patients With Myeloproliferative Disorders [NCT02210858]	Phase 1/Phase 2	31 participants (Actual)	Interventional	2000-05-31	Completed
A Phase I Study to Determine Biological Endpoints of Up to 21 Day Dosing of the Farnesyltransferase Inhibitor R115777 (IND# 52,302) for Refractory and Relapsed Adult Leukemias (Summary Last Modified 9/1999) [NCT00004009]	Phase 1	0 participants	Interventional	1999-06-30	Completed
A Phase II Study to Determine the Antitumor Activity of Farnesyltransferase Inhibitor R115777 in Subjects With Relapsed Small Cell Lung Cancer [NCT00005041]	Phase 2	0 participants	Interventional	1999-09-30	Completed
A Phase 2 Study of Tipifarnib in Large Granular Lymphocyte (LGL) Leukemia [NCT00360776]	Phase 2	25 participants (Actual)	Interventional	2006-06-02	Terminated
A Dose Escalation of Zarnestra (R115777) Combined With Velcade® (PS-341) in Patients With Relapsed Multiple Myeloma [NCT00361088]	Phase 1/Phase 2	42 participants (Actual)	Interventional	2005-08-31	Terminated(stopped due to Initial Principal Investigator left Moffitt)
A Phase I-II Study of R115777 (Tipifarnib, Zarnestra®) Plus Sequential Weekly Paclitaxel Followed by Dose-Dense Doxorubicin and Cyclophosphamide in Patients With Stage IIB-IIIC Breast Cancer [NCT00470301]	Phase 1/Phase 2	60 participants (Actual)	Interventional	2007-04-30	Completed
[NCT04809233]		0 participants	Expanded Access		Available
A Phase III, Double-Blind, Placebo Controlled Trial of Gemcitabine Plus Placebo Versus Gemcitabine Plus R115777 in Patients With Advanced Pancreatic Cancer [NCT00005648]	Phase 3	688 participants (Actual)	Interventional	1999-11-30	Completed
An Open Label Phase II Study of Tipifarnib in Advanced Non-Hematological Malignancies With HRAS Mutations [NCT02383927]	Phase 2	63 participants (Actual)	Interventional	2015-03-31	Completed
A Phase I, Maximum Tolerated Dose (MTD) Trial to Determine the Safety and Pharmacokinetics of Chronic Oral Administration of Farnesyl Transferase Inhibitor R115777 in Combination With Gemcitabine in Subjects With Advanced Incurable Cancer [NCT00003707]	Phase 1	22 participants (Actual)	Interventional	1998-10-31	Completed
Phase I Trial of R115777 With Radiation Therapy and Temozolomide in Patients With Newly Diagnosed Glioblastoma Multiforme [NCT02227901]	Phase 1	19 participants (Actual)	Interventional	2002-09-30	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Trial	Outcome
NCT00021541 (5) [back to overview]	Median Time to Progression Using the 2-Dimensional World Health Organization (WHO) Solid Tumor Method
NCT00021541 (5) [back to overview]	Median Time to Progression Using the Conventional 1-Dimensional Response Evaluation Criteria in Solid Tumors (RECIST) Method
NCT00021541 (5) [back to overview]	Number of Participants With Adverse Events
NCT00021541 (5) [back to overview]	Median Time to Progression
NCT00021541 (5) [back to overview]	Quality of Life (QOL)
NCT00050986 (1) [back to overview]	Maximal Tolerating Dose (MTD for Phase I)
NCT00079339 (7) [back to overview]	Mean Tumor to Gray Matter Ratio Measured at Baseline
NCT00079339 (7) [back to overview]	Change From Baseline in Diffusion Ratio at Two Weeks After Completion of Radiation.
NCT00079339 (7) [back to overview]	Change From Baseline in Perfusion Ratio at Two Weeks After Completion of Radiation
NCT00079339 (7) [back to overview]	Change From Baseline in Volume FLAIR at Two Weeks After Completion of Radiation
NCT00079339 (7) [back to overview]	Mean Tumor to White Matter Ratio Measured at Baseline
NCT00079339 (7) [back to overview]	Number of Participants in the Phase I Component With Dose-limiting Toxicities (DLTs) Observed During the First 8 Weeks (Courses 1 and 2) of Tipifarnib Therapy
NCT00079339 (7) [back to overview]	Progression-free Survival (PFS)
NCT00082810 (5) [back to overview]	Median Overall Survival
NCT00082810 (5) [back to overview]	Duration of Response
NCT00082810 (5) [back to overview]	Time to Progression (TTP)
NCT00082810 (5) [back to overview]	Toxicity as Assessed by NCI CTCAE Version 3.0
NCT00082810 (5) [back to overview]	Clinical Benefit Rate (CBR) (CR Rate, PR Rate, and SD)
NCT00082888 (5) [back to overview]	Number of Patients Who Experienced Grade 3 or 4 Toxicities
NCT00082888 (5) [back to overview]	Duration of Response
NCT00082888 (5) [back to overview]	Time to Progression
NCT00082888 (5) [back to overview]	Proportion of Participants With Confirmed Response (Complete Response, Unconfirmed Complete Response, or Partial Response) During the First 6 Courses of Treatment
NCT00082888 (5) [back to overview]	Overall Survival
NCT00093470 (2) [back to overview]	Disease-free Survival
NCT00093470 (2) [back to overview]	Overall Survival
NCT00096122 (1) [back to overview]	Number of Participants With Complete Response
NCT00281957 (4) [back to overview]	One-year Overall Survival
NCT00281957 (4) [back to overview]	Response Rate (Complete and Partial)
NCT00281957 (4) [back to overview]	Toxicity
NCT00281957 (4) [back to overview]	4-month Progression-free Survival
NCT00335764 (14) [back to overview]	Pharmacokinetic Max Concentration (Cmax) of Group 2 Sorafenib and Temsirolimus (Phase I)
NCT00335764 (14) [back to overview]	Plasma Time Curve (AUC) of Group 2 Sorafenib and Temsirolimus (Phase I)
NCT00335764 (14) [back to overview]	Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg BID (Level 1)
NCT00335764 (14) [back to overview]	Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg QD (Level -1)
NCT00335764 (14) [back to overview]	Trough Concentration Group 2 Sorafenib and Temsirolimus (Phase I)
NCT00335764 (14) [back to overview]	Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase I)
NCT00335764 (14) [back to overview]	Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase 2)
NCT00335764 (14) [back to overview]	Progression-free Survival at 6 Months (Phase II)
NCT00335764 (14) [back to overview]	Maximum Tolerated Dose (MTD) of the Each Combination Agent Combined With a Fixed Dose of BAY 43-9006 Determined by Dose-limiting Toxicities (DLT) (Phase I)
NCT00335764 (14) [back to overview]	Objective Response Rate in Patients With Measurable Disease (Phase II)
NCT00335764 (14) [back to overview]	Pharmacokinetic AUC 0-12 Group 1 Sorafenib and Erlotinib (Phase I)
NCT00335764 (14) [back to overview]	Pharmacokinetic cMax Group 1 Sorafenib and Erlotinib (Phase I)
NCT00335764 (14) [back to overview]	Pharmacokinetic CpMax Concentration of Group 3 Sorafenib and Tipifarnib (Phase I) 100mg BID
NCT00335764 (14) [back to overview]	Pharmacokinetic Cpmax Group 3 Sorafenib and Tipifarnib (Phase I) 100 mg QD (Level -1)
NCT00470301 (2) [back to overview]	Pathologic Complete Response Rate (pCR)
NCT00470301 (2) [back to overview]	Number of Participants Analyzed for Phase II Dose of Tipifarnib When Combined With Weekly Sequential Paclitaxel (Phase I)
NCT00602771 (1) [back to overview]	Complete Response
NCT01361464 (3) [back to overview]	Complete Remission (CR) Rate
NCT01361464 (3) [back to overview]	Number of Participants With Relapse Free Survival
NCT01361464 (3) [back to overview]	Median Overall Survival (OS)

Median Time to Progression Using the 2-Dimensional World Health Organization (WHO) Solid Tumor Method

Median time to progression is defined as ≥25% increase in area based on volumetric analysis using the 2-dimensional WHO solid tumor method. (NCT00021541)
Timeframe: 8 years

Intervention	Months (Median)
Phase A - Tipifarnib	52.5

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Median Time to Progression Using the Conventional 1-Dimensional Response Evaluation Criteria in Solid Tumors (RECIST) Method

Median time to progression is defined as ≥20% increase in diameter based on volumetric analysis using the 1-dimensional RECIST method. Start of phase A or phase B to time of progression. (NCT00021541)
Timeframe: 8 years

Intervention	Months (Median)
Phase A - Tipifarnib	NA

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Number of Participants With Adverse Events

Here are the number of participants with adverse events. For the detailed list of adverse events see the adverse event module. (NCT00021541)
Timeframe: 8 years

Intervention	Participants (Count of Participants)
Tipifarnib & Placebo	59

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Median Time to Progression

Median time to progression is defined as a greater than or equal to 20% increase increase in the sum of the volume of all index lesions based on volumetric analysis utilizing magnetic resonance imaging (MRI).Start of phase A or phase B to time of progression. (NCT00021541)
Timeframe: 8 years

Intervention	Months (Median)
	Placebo	Tipifarnib
Phase A - Tipifarnib	10.6	19.2
Phase B - Placebo	14.5	13.3

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Quality of Life (QOL)

"Parents of participants aged 6-18 years completed the Impact of Pediatric Illness (IPI) Scale about their child prior to the start of cycles 1, 4, 7, and 10 and then after every 6 cycles. The IPI Scale assesses QOL in 4 domains: adaptive behavior, emotional functioning, medical/physical status, and cognitive functioning. Responses to the 43 items are made on a 5-point Likert scale (1-5) ranging from not al all to a lot. Higher mean scores indicate better QOL. Parent total scores for participants on placebo were compared with scores from participants receiving tipifarnib on phase A." (NCT00021541)
Timeframe: Baseline to pre cycle 4

Intervention	Total scores on a scale (Mean)
	Baseline	Pre cycle 4
Phase A - Tipifarnib	3.69	3.91
Phase B - Placebo	3.70	3.68

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Maximal Tolerating Dose (MTD for Phase I)

"Phase I Dose limiting toxicity evaluation at end of first cycle based on blood tests every two weeks and participants' subjective and objective symptoms.~Start Dose Level 100 mg/m² Temozolomide once daily + 400 mg ZARNESTRA twice daily; Dose Level 1 100 mg/m² Temozolomide once daily + 500 mg ZARNESTRA twice daily; Dose Level 2 150 mg/m² Temozolomide once daily + 500 mg ZARNESTRA twice daily; Dose Level 3 150 mg/m² Temozolomide once daily + 600 mg ZARNESTRA twice daily; Dose Level 4 150 mg/m² Temozolomide once daily + 800 mg ZARNESTRA twice daily" (NCT00050986)
Timeframe: End of first cycle (4 weeks) evaluation

Intervention	participants (Number)
	Dose Level 1	Dose Level 2	Dose Level 3	Dose Level 4
Temozolomide and R115777	3	3	6	3

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Mean Tumor to Gray Matter Ratio Measured at Baseline

This study attempts to characterize neuroimaging parameters from positron emission tomography. For each patient, the axial image through the tumor containing the maximum activity per pixel corresponding to the highest FluoroDeoxyGlucose (FDG) uptake was identified and a region of interest (ROI) was drawn based on the FDG definition of the tumor. The mean pixel values within the tumor ROI were normalized by those for normal gray matter to provide ratios of tumor/gray matter. Each patient has a mean tumor to gray matter ratio value and the median of these values across patients is reported. (NCT00079339)
Timeframe: Baseline

Intervention	Ratio (Median)
Tipifarnib - All Dose Levels	.64

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Change From Baseline in Diffusion Ratio at Two Weeks After Completion of Radiation.

This study attempted to investigate in an exploratory manner the effect of treatment on changes in neuroimaging meaurements. Neuroimaging changes may have some association with outcome (response, survival, etc.). Diffusion values are obtained from magnetic resonance diffusion imaging and were measured at baseline, every 8 weeks for the first 48 weeks, and then every 12 weeks until treatment is discontinued. (NCT00079339)
Timeframe: Baseline and two weeks post completion of radiation

Intervention	Ratio (Median)
Tipifarnib - All Dose Levels	-.13

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Change From Baseline in Perfusion Ratio at Two Weeks After Completion of Radiation

This study attempted to investigate in an exploratory manner the effect of treatment on changes in neuroimaging meaurements. Neuroimaging changes may have some association with outcome (response, survival, etc.). Perfusion values are obtained from magnetic resonance perfusion imaging and were measured at baseline, every 8 weeks for the first 48 weeks, and then every 12 weeks until treatment is discontinued. (NCT00079339)
Timeframe: Baseline and two weeks post completion of radiation

Intervention	Ratio (Median)
Tipifarnib - Any Dose Level	-.42

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Change From Baseline in Volume FLAIR at Two Weeks After Completion of Radiation

This study attempted to investigate in an exploratory manner the effect of treatment on changes in various neuroimaging variables. Neuroimaging changes may have some association with outcome (response, survival, etc.). Volume FLAIR is one parameter obtained from standard magnetic resonance imaging (MRI) studies of the brain. Volume FLAIR was obtained at baseline and within two weeks after completion of radiation. (NCT00079339)
Timeframe: Baseline and two weeks post completion of radiation

Intervention	cubic centimeters (Median)
Tipifarnib - All Dose Levels	-12.45

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Mean Tumor to White Matter Ratio Measured at Baseline

This study attempts to characterize neuroimaging parameters from positron emission tomography. For each patient, the axial image through the tumor containing the maximum activity per pixel corresponding to the highest FluoroDeoxyGlucose (FDG) uptake was identified and a region of interest (ROI) was drawn based on the FDG definition of the tumor. The mean pixel values within the tumor ROI were normalized by those for normal white matter to provide ratios of tumor/white matter. Each patient has a mean tumor to white matter ratio value and the median of these values across patients is reported. (NCT00079339)
Timeframe: Baseline

Intervention	Ratio (Median)
Tipifarnib - All Dose Levels	1.44

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Number of Participants in the Phase I Component With Dose-limiting Toxicities (DLTs) Observed During the First 8 Weeks (Courses 1 and 2) of Tipifarnib Therapy

The dose limiting toxicity (DLT) analysis population consists of phase I participants who developed DLT during the maximum tolerated dose (MTD) estimation period (courses 1 and 2) or who completed the MTD estimation period (courses 1 and 2) without DLTs. DLTs observed during courses 1 and 2 were used to estimate the MTD. (NCT00079339)
Timeframe: Day 1 of tipifarnib therapy to week 8

Intervention	Participants (Number)
Tipifarnib 100-mg/m2	0
Tipifarnib 125-mg/m2	1
Tipifarnib 150-mg/m2	4

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Progression-free Survival (PFS)

PFS was defined as the interval from initiation of treatment to the earliest of disease progression (tumor increase of 25% over baseline tumor measurement; appearance of new lesion(s); or progressive/worsening neurological status) or death for patients who failed, or to the last date of follow up for patients without failure. (NCT00079339)
Timeframe: Assessed before the first dose of tipifarnib, every 8 weeks for the first 48 weeks, and then every 12 weeks.

Intervention	Months (Median)
Tipifarnib 125-mg/m2	6.8

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Median Overall Survival

The 95% confidence intervals will be used. (NCT00082810)
Timeframe: From randomization until death or censored at the date of last follow-up, assessed up to 4 years

Intervention	months (Median)
Fulvestrant 250 mg + Tipifarnib 300 mg	19.4

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Duration of Response

DOR was defined for responders as the time from the onset of first response to disease progression and for non-responders as zero (NCT00082810)
Timeframe: Up to 4 years

Intervention	months (Median)
Fulvestrant 250 mg + Tipifarnib 300 mg	16

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Time to Progression (TTP)

TTP was estimated using the Kaplan-Meier method. (NCT00082810)
Timeframe: From randomization until progression of the disease, assessed up to 4 years

Intervention	months (Median)
Fulvestrant 250 mg + Tipifarnib 300 mg	7.2

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Toxicity as Assessed by NCI CTCAE Version 3.0

Number of Participants with serious (grade 3) or life-threatening (grade 4) adverse events (NCT00082810)
Timeframe: Up to 4 years

Intervention	Participants (Count of Participants)
Treatment (Tipifarnib, Fulvestrant)	33

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Clinical Benefit Rate (CBR) (CR Rate, PR Rate, and SD)

Number of participants met the definition of Clinical Benefit Rate.Tumor response was assessed every three cycles by CT using RECIST (Response Evaluation Criteria In Solid Tumors) criteria. Per Response Evaluation Criteria in Solid Tumors (RECIST 1.0) for target lesions: Complete Response (CR): Disappearance of all target lesions; Partial Response (PR): At least a 30% decrease in the sum of the longest diameter (LD) of target lesions, taking as reference the baseline sum LD; Progressive Disease (PD): At least a 20% increase in the sum of the longest diameter of target lesions, taking as reference the smallest sum longest diameter since the treatment started or the appearance of one or more new lesions; Stable Disease (SD): Neither sufficient shrinkage to qualify for PR nor sufficient increase to qualify for PD, taking as reference the smallest sum LD since the treatment started. (NCT00082810)
Timeframe: Up to 24 weeks

Intervention	participants (Number)
	Partial response	Stable disease	Complete response
Fulvestrant 250 mg + Tipifarnib 300 mg	11	5	0

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Number of Patients Who Experienced Grade 3 or 4 Toxicities

"Number of patients that experienced a grade 3 or 4 toxicity (adverse events considered at least possibly related to Tipifarnib) as measured by NCI (National Cancer Institute) CTCAE (Common Terminology Criteria for Adverse Events) v3.0.~Grade 3: Severe or medically significant but not immediately life-threatening; hospitalization or prolongation of hospitalization indicated; disabling; limiting self care ADL(Self care ADL refer to bathing, dressing and undressing, feeding self, using the toilet, taking medications, and not bedridden.).~Grade 4: Life-threatening consequences; urgent intervention indicated." (NCT00082888)
Timeframe: Up to 56 days

Intervention	Participants (Count of Participants)
Aggressive B-cell NHL Group	32
Indolent B-cell NHL Group	8
HL/T-cell Lymphoma Group	24

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Duration of Response

Duration of response is defined for all evaluable patients that have achieved an objective response as the date at which the patient's objective status is first noted to be either a complete response (CR) or partial response (PR) to the date progression (PD) is documented. CR:Complete disappearance of all detectable clinical and radiographic evidence of disease and disappearance of all disease-related symptoms if present before therapy PR:≥50% decrease in SPD of the six largest dominant nodes or nodal masses. PD:≥50 % increase from nadir in the SPD of any previously identified abnormal node for PRs or nonresponders or appearance of any new lesion during or at the end of therapy. (NCT00082888)
Timeframe: up to 2 years

Intervention	months (Median)
Aggressive B-cell NHL Group	11.3
Indolent B-cell NHL Group	2
HL/T-cell Lymphoma Group	7.5

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Time to Progression

Time to progression was defined as the number of months from registration to the date of disease progression with patients being progression-free being censored on the date of their last evaluation. Progression is defined as ≥50 % increase from nadir in the SPD of any previously identified abnormal node for partial responders or nonresponders or appearance of any new lesion during or at the end of therapy. (NCT00082888)
Timeframe: up to 2 years

Intervention	months (Median)
Aggressive B-cell NHL Group	2.8
Indolent B-cell NHL Group	5.2
HL/T-cell Lymphoma Group	3.2

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Proportion of Participants With Confirmed Response (Complete Response, Unconfirmed Complete Response, or Partial Response) During the First 6 Courses of Treatment

Confirmed response is at least a 50% decrease in the sum of the products of the greatest diameters (SPD) of the six largest dominant nodes or nodal masses and no increase in the size of other nodes, liver, or spleen and splenic and hepatic nodules must regress by at least 50% in the SPD and no new sites of disease. (NCT00082888)
Timeframe: During the first 6 cycles of treatment

Intervention	Proportion of participants (Number)
Aggressive B-cell NHL Group	0.17
Indolent B-cell NHL Group	0.07
HL/T-cell Lymphoma Group	0.31

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Overall Survival

Overall survival time was defined as the time from registration to the date of death or last follow-up. (NCT00082888)
Timeframe: Up to 2 years

Intervention	months (Median)
Aggressive B-cell NHL Group	6.4
Indolent B-cell NHL Group	20.6
HL/T-cell Lymphoma Group	19.7

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Disease-free Survival

Disease-free survival (DFS) is defined as the time from randomization to relapse or death without relapse. (NCT00093470)
Timeframe: Assessed monthly for the first 6 months then every 3 months or as clinically indicated, up to 5 years.

Intervention	months (Median)
Arm A (Tipifarnib)	8.87
Arm B (Clinical Observation)	5.26

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Overall Survival

Overall survival (OS) is defined as the time from randomization to death from any cause. (NCT00093470)
Timeframe: Assessed monthly for the first 6 months then every 3 months or as clinically indicated, up to 5 years.

Intervention	months (Median)
Arm A (Tipifarnib)	16.36
Arm B (Clinical Observation)	9.27

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Number of Participants With Complete Response

Complete Response (CR) is required bone marrow blasts ≤5% and recovery of normal hematopoiesis with an absolute neutrophil count (ANC) of 1*10^9/L or more and platelet count of 100*10^9/L or more; and a complete response without platelets (CRp) is the same criteria as CR but with platelet counts from 20*10^9/L to less than 100*10^9/L. (NCT00096122)
Timeframe: 21 Day Cycle

Intervention	Participants (Number)
	CR	CRp
Idarubicin, Cytarabine + Tipifarnib	61	9

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One-year Overall Survival

(NCT00281957)
Timeframe: One year after registration

Intervention	Percent of population (Number)
Sorafenib+Temsirolimus	19
Sorafenib+Tipifarnib	31

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Response Rate (Complete and Partial)

Complete response corresponds to complete disappearance of all measurable and non-measurable lesions with no new lesions. Partial response corresponds to greater than or equal to 30ﬁ decrease of sum of longest diameter of all target measurable lesions with no new lesion and non unequivocal progression of non-measurable disease. (NCT00281957)
Timeframe: Every 8 weeks until progression

Intervention	Percent of participants (Number)
Sorafenib+Temsirolimus	5
Sorafenib+Tipifarnib	3

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Toxicity

Number of patients with Grade 3-5 adverse events that are related to study drug by given type of adverse event (NCT00281957)
Timeframe: Weekly during first cycle, every two weeks during the second cycle, and once a cycle further cycles (one cycle = 4 weeks).

Intervention	Participants (Number)
	ALT, SGPT (serum glutamic pyruvic transaminase)	AST, SGOT (serum glut oxaloacetic transaminase)	Amylase	Anorexia	Calcium, serum-low (hypocalcemia)	Confusion	Constitutional Symptoms-Other (Specify)	Cough	Creatinine	Dehydration	Dermatology/Skin-Other (Specify)	Diarrhea	Dyspnea (shortness of breath)	Fatigue (asthenia, lethargy, malaise)	Gastrointestinal-Other (Specify)	Glucose, serum-high (hyperglycemia)	Heartburn/dyspepsia	Hemoglobin	Hemorrhage, GI - Stomach	Hypertension	Hypotension	Ileus, GI	Infec with norm ANC or Gr 1/2 neut- Nose	Infec with norm ANC or Gr 1/2 neut-Skin	Left ventricular systolic dysfunction	Lipase	Lymphopenia	Mood alteration - depression	Mucositis/stomatitis (clinical exam) - Oral cavity	Muscle weakness, gen or spec area-Extraocular	Muscle weakness, gen or spec area-Whole body	Nausea	Neurology-Other (Specify)	Neuropathy: motor	Obstruction, GI - Small bowel NOS	Pain - Abdomen NOS	Pain - Back	Pain - Chest wall	Pain - Chest/thorax NOS	Pain - Extremity-limb	Pain - Head/headache	Pain - Joint	Pain - Muscle	Pain - Neuralgia/peripheral nerve	Pain - Oral cavity	Pain - Pelvis	Pain - Rectum	Pain - Skin	Pain - Stomach	Pancreatitis	Phosphate, serum-low (hypophosphatemia)	Platelets	Pneumonitis/pulmonary infiltrates	Potassium, serum-low (hypokalemia)	Proteinuria	Pruritus/itching	Pulmonary/Upper Respiratory-Other (Specify)	Rash/desquamation	Rash: acne/acneiform	Rash: erythema multiforme	Rash: hand-foot skin reaction	Renal failure	Sodium, serum-low (hyponatremia)	Thrombosis/thrombus/embolism	Vomiting
Sorafenib+Temsirolimus	0	0	0	1	1	2	1	1	1	3	0	4	1	8	1	1	0	2	1	1	1	1	1	1	1	0	1	0	2	1	2	3	1	0	1	1	1	1	1	1	1	1	1	0	1	0	1	1	1	1	8	1	2	4	1	2	1	4	3	1	2	2	1	0	3
Sorafenib+Tipifarnib	1	1	1	0	0	0	0	0	0	0	1	1	1	2	0	0	1	0	0	2	0	0	0	0	0	1	0	1	0	0	1	0	0	1	0	2	2	0	1	1	0	1	0	1	0	1	0	0	0	1	1	0	0	0	0	1	0	2	5	0	4	0	0	1	0

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4-month Progression-free Survival

Progression was defined as one or more of the following: 20% increase in the sum of longest diameters of target measurable lesions over smallest sum observed, unequivocal progression of non-measurable disease, appearance of any new lesions, death due to disease without prior documentation of progression and without symptomatic deterioration. (NCT00281957)
Timeframe: 4 months after registration

Intervention	Percent of population (Number)
Sorafenib+Temsirolimus	29
Sorafenib+Tipifarnib	18

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Pharmacokinetic Max Concentration (Cmax) of Group 2 Sorafenib and Temsirolimus (Phase I)

Group 2: 13 patients received temsirolimus 25mg IV and 7 patients treated with 200mg Sorafenib and 6 patients treated with 400mg Sorafenib (NCT00335764)
Timeframe: cycle 1 ((Day1, Day15, Day28)

Intervention	ng/mL (Mean)
	Day 1 Cmax	Day 15 Cmax	Day 28 Cmax
Group 2 Phase I Sorafenib 200mg BID	NA	4.04	3.26
Group 2 Phase I Sorafenib 400mg BID	NA	7.49	6.24
Group 2 Phase I Temsirolimus 25mg QW	530	616	NA

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Plasma Time Curve (AUC) of Group 2 Sorafenib and Temsirolimus (Phase I)

"Day 1 = 12 patients (1 sample not evaluable) Day 15 = 5 patients (8 samples not evaluable)~AUC - Area Under Curve~8 samples collected over 24 hours - 28 day PKs" (NCT00335764)
Timeframe: Cycle 1 (D1, D15, D28) (0,1,2,4,6,8,12,24hr post drug administration)

Intervention	mcg*hr/mL (Mean)
	AUC 0-12 Day 1	AUC 0-12 Day 15	AUC 0-12 Day 28
Group 2 Phase I Sorafenib 200mg	NA	35.45	29.0
Group 2 Phase I Sorafenib 400mg	NA	42.32	32.98
Group 2 Phase I Temsirolimus 25mg QW	1.53	1.35	NA

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Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg BID (Level 1)

Group 3: PKs for Dose level 1 Tipifarnib 100mg BID (NCT00335764)
Timeframe: Cycle 1 = 28 day PKs D1, D15,D28 (0,1,2,4,6,8,12,24hr post drug administration)

Intervention	ng*hr/mL (Mean)
	AUC 0-12 Day 1	AUC 0-12 Day 15	AUC 0-12 Day 28
Group 3 Phase I Sorefenib 200mg BID	NA	12.17	36.45
Group 3 Phase I Tipifarnib 100mg QD	631.67	390.25	NA

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Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg QD (Level -1)

"Group 3: PKs for Dose level -1 100mg QD~Note that although 9 patients were accrued/analyzed some samples were incomplete or inevaluable or missing hence number analyzed difference" (NCT00335764)
Timeframe: Cycle 1 (D1, D15, D28) (0,1,2,4,6,8,12,24hr post drug administration)

Intervention	ng*hr/mL (Mean)
	AUC 0-12 Day 1	AUC 0-12 Day 15	AUC 0-12 Day 28
Group 3 Phase I Sorafenib 200mg BID	NA	30.59	41.43
Group 3 Phase I Tipifarnib 100mg QD	814.5	706	NA

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Trough Concentration Group 2 Sorafenib and Temsirolimus (Phase I)

Group 2: 12 patients were analyzed for Day 1 (1 patient not evaluable), 5 patients were analyzed for Day 15 (8 patients not evaluable) (NCT00335764)
Timeframe: 15 days

Intervention	ng/mL (Mean)
	Trough Day 1	Trough Day 15
Group 2 Phase I Sorafenib and Temsirolimus QW	24	20

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Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase I)

CTCAE 3.0 (NCT00335764)
Timeframe: 28 days

Intervention	Events (Number)
	Leukopenia Grade 3	Lymphopenia Grade 3	Neutropenia Grade 3	Thrombocytopenia Grade 3	AST, SGOT Grade 3	Cholesterol Grade 3	Diarrhea Grade 3	Hemmorrhoids Grade 3	Hypertriglyceridemia Grade 3	Hypophosphatemia Grade 3	Fatigue Grade 3	Vomiting Grade 3	Lipase Grade 4	Joint - Knee Pain Grade 3	Thrombosis/thrombus/embolism Grade 4	Fever Grade 3	Dysphasia Grade 3	Pain - Head/Headache Grade 3	Encephalopathy Grade 3	Lipase Grade 3	ALT, SGPT Grade 3	Hypertension Grade 3
Group 1 Phase I Sorafenib and Erlotinib QD	0	0	0	0	1	0	0	0	0	3	0	0	0	0	0	0	0	0	0	1	2	1
Group 2 Phase I Sorafenib and Temsirolimus QW	0	2	0	1	1	1	1	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0
Group 3 Phase I Sorafenib and Tipifarnib BID	0	3	0	0	0	0	2	0	0	4	1	1	3	1	1	1	1	1	1	0	0	0

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Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase 2)

(NCT00335764)
Timeframe: 1 year

Intervention	events (Number)
	Lymphopenia Grade 3	Thrombocytopenia Grade 3	Thrombocytopenia Grade 4	Cholesterol (high) Grade 3	Diarrhea Grade 3	Fatigue Grade 3	Hypokalemia Grade 3	Hyponatremia Grade 3	Hypophosphatemia Grade 3	Lipase (high) Grade 3	Pharyngeal mucositis Grade 3	Pruritis Grade 3	Rash Grade 3	Seizures Grade 3	Hypertension Grade 3
Group 1 Phase II Sorafenib and Erlotinib	2	0	0	0	1	3	0	0	0	0	0	0	0	0	1
Group 2 Phase II Sorafenib and Temsirolimus	2	5	2	2	1	2	1	1	3	1	1	1	1	1	0

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Progression-free Survival at 6 Months (Phase II)

Patients with a scan at 6 months without progressive disease Progressive disease defined as Progressive neurological abnormalities not explained by other causes or greater than 25% increase in size of tumor or if new lesion. (NCT00335764)
Timeframe: 6 months

Intervention	weeks (Mean)
Group 1 Phase II Sorafenib and Erlotinib	15.8
Group 2 Phase II Sorafenib and Temsirolimus	8
Group 3 Phase I Sorafenib and Tipifarnib BID	4.2

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Maximum Tolerated Dose (MTD) of the Each Combination Agent Combined With a Fixed Dose of BAY 43-9006 Determined by Dose-limiting Toxicities (DLT) (Phase I)

DLT defined as: any grade 4 hematologic toxicity; grade 3 thrombocytopenia > 7 days, any grade 3/4 non-hematologic toxicity (despite maximal medical therapy), any intolerable grade 2 non-hematological, ro grade 3 hematological toxicity requiring deduction during first 28 days of treatment, any toxicity resulting in delay of >1week during first 28 days of treatment (NCT00335764)
Timeframe: 28 days

Intervention	mg (Number)
Group 1 Phase I Sorafenib and Erlotinib QD	100
Group 2 Phase I Sorafenib and Temsirolimus QW	25
Group 3 Phase I Sorafenib and Tipifarnib BID	NA

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Objective Response Rate in Patients With Measurable Disease (Phase II)

"Measurable: Bidimensionally measurable lesions w/ clearly defined margins by MRI Evaluable: Unidimensionally measurable lesions, masses w/margins not clearly defined.~Complete Response (CR): Complete disappearance of all measurable/evaluable disease. No new lesions. No evidence of non-evaluable disease. Patients on minimal/no steroids.~Partial Response (PR): >/= to 50% decrease under baseline in the sum of products of perpendicular diameters of all measurable lesions. No progression of evaluable disease. Responders must be on same/decreasing doses of dexamethasone.~Stable/No Response: Does not qualify for CR, PR, or progression. Progression: 25% increase in the sum of products of all measurable lesions over smallest sum observed (over BL if no decrease), OR clear worsening of any evaluable disease, OR appearance of any new lesion/site, OR failure to return for evaluation due to death or deteriorating condition (unless clearly unrelated to this cancer)." (NCT00335764)
Timeframe: Up to 5 years

Intervention	Participants (Count of Participants)
	Partial Response	Complete Response	Stable Response	Progressive Disease	Unevaluable
Group 1 Phase II Sorafenib and Erlotinib	0	0	7	10	2
Group 2 Phase II Sorafenib and Temsirolimus	2	0	3	13	0

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Pharmacokinetic AUC 0-12 Group 1 Sorafenib and Erlotinib (Phase I)

"8 samples collected over 24 hours on Day 1, day 15 and day 28~16 patients Note that although 16 patients were accrued/analyzed some samples were incomplete or inevaluable or missing hence number analyzed difference AUC - Area Under Curve" (NCT00335764)
Timeframe: 28Days (D1, D15, D28) (0,1,2,4,6,8,12,24hr post administration) AUC 0-12

Intervention	ug xhr/mL (Mean)
	AUC0-12 Day1	AUC0-12 Day 15	AUC0-12 Day 28
Group 1 Phase I Erlotinib 100mg QD	6.3	6.9	7.7
Group 1 Phase I Sorafenib 200mg	NA	45.85	40.29
Group 1 Phase I Sorafenib 400mg	NA	62.4	38.7

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Pharmacokinetic cMax Group 1 Sorafenib and Erlotinib (Phase I)

"8 samples collected over 24 hours on Day 1, day 15 and day 28~13 total patients treated 100mg Erlotinib and either 200mg or 400mg of Sorafenib" (NCT00335764)
Timeframe: 28days (D1, D15, D28) (0,1,2,4,6,8,12,24hr post administration)

Intervention	ng/mL (Mean)
	cMax Day 1	cMax Day 15	cMax Day 28
Group 1 Phase I Erlotinib 100mg QD	443	662	653
Group 1 Phase I Sorafenib 200mg BID	NA	5.51	4.67
Group 1 Phase I Sorafenib 400mg BID	NA	8.4	4.10

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Pharmacokinetic CpMax Concentration of Group 3 Sorafenib and Tipifarnib (Phase I) 100mg BID

"Group 3: patients were studied for their day 1 Cmax, and day 15 Cmax Tipifanib and Day 15 and Day 28 sorafenib~Group 3: Only PKs for Dose level 1 and -1 were collected." (NCT00335764)
Timeframe: Cycle 1 = 28 day PKs D1, D15,D28 (0,1,2,4,6,8,12,24hr post drug administration)

Intervention	ng/mL (Mean)
	Day 1 Cmax	Day 15 Cmax	Day 28 Cmax
Group 3 Phase I Sorafenib 200mg BID	NA	4.17	4.53
Group 3 Phase I Tipifarnib 100mg BID	132.17	233.60	NA

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Pharmacokinetic Cpmax Group 3 Sorafenib and Tipifarnib (Phase I) 100 mg QD (Level -1)

Group 3: Only PKs for Dose level 1 and -1 were collected. (NCT00335764)
Timeframe: Cycle 1 = 28 day PKs D1, D15,D28 (0,1,2,4,6,8,12,24hr post drug administration)

Intervention	ng/mL (Mean)
	Cmax Day 1	Cmax Day 15	Cmax Day 28
Group 3 Phase I Sorafenib 200mg BID	NA	3.34	3.43
Group 3 Phase I Tipifarnib 100mg QD	209.5	169.5	NA

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Pathologic Complete Response Rate (pCR)

An increase in the breast pCR from 15% (anticipated for chemotherapy alone) to 35% would be considered promising. (NCT00470301)
Timeframe: Up to 5 years

Intervention	participants (Number)
Arm I	33

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Number of Participants Analyzed for Phase II Dose of Tipifarnib When Combined With Weekly Sequential Paclitaxel (Phase I)

The recommended phase II dose of tipifarnib (100 or 200 mg PO BID on days 1-3 each paclitaxel dose) in combination with paclitaxel (80 mg/m2/week x 12 consecutive weeks) (NCT00470301)
Timeframe: 1 year

Intervention	participants (Number)
	Number of participants with DLT (100 mg PO BID tipifarnib)	Number of participants with DLT (200 mg PO BID tifiparnib)
Arm I	0	0

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Complete Response

Bone marrow showing less than 5% myeloblasts with normal maturation of all cell lines, an ANC of at least 1000/mcL and a platelet count of 100,000 mcL, absence of blast in peripheral blood, absence of identifiable leukemic cells in the bone marrow, clearance of disease-associated cytogenetic abnormalities, and clearance of any previously existing extramedullary disease. A CR must be confirmed 4 to 6 weeks after the initial documentation. If possible, at least one bone marrow biopsy should be performed to confirm the CR. (NCT00602771)
Timeframe: 6 months

Intervention	participants (Number)
Arm I	0
Arm II (Closed to Accrual as of November 2008)	0

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Complete Remission (CR) Rate

Complete Remission (CR) rate in Acute Myelogenous Leukemia (AML) patients prospectively selected for R115777R115777 (ZARNESTRA) treatment on the basis of a 2-gene signature (RASGRP1:APTX ratio) in bone marrow aspirates. AML Complete Remission: Bone marrow aspiration - Less than 5% leukemic blasts, Auer rods not detected; Peripheral blood counts - Absolute neutrophil count >/= 1,000/mm^3, Platelet count >/= 100,000/mm^3, Leukemic blasts not present; Blood-product transfusion independence; Absence of extramedullary leukemia. (NCT01361464)
Timeframe: From first treatment through follow up period, an expected average of 12 months

Intervention	percentage of participants (Number)
R115777 Therapy	11

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Number of Participants With Relapse Free Survival

Relapse-free survival is calculated from the date of documentation of complete remission/morphologic complete remission with incomplete blood count recovery (CR/CRi) until disease relapse or death from any cause. (NCT01361464)
Timeframe: 7 months

Intervention	participants (Number)
R115777 Therapy	2

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Median Overall Survival (OS)

Overall survival is calculated from the first day of R115777 treatment and lasts until the date of death recorded on the case report form (CRF). (NCT01361464)
Timeframe: From first treatment through follow up period, an expected average of 12 months

Intervention	months (Median)
R115777 Therapy	6.6

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Substance	Relationship Strength	Studies	Trials	Classes	Roles
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.03	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
benzene [no description available]	2.05	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
choline [no description available]	3.48	1	1	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
creatine [no description available]	3.48	1	1	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
cytosine [no description available]	2.47	2	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	3.48	1	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	2.08	1	0	imidazole
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	10	11	7	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	2	1	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
b 844-39 [no description available]	2.15	1	0	diarylmethane
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	3.07	4	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
pd 173074 [no description available]	2.08	1	0	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
jtv519 [no description available]	2.89	3	0
abt 702 [no description available]	2.08	1	0	bipyridines
alendronate alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.	2.44	2	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	2.89	3	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
dan 2163 [no description available]	2.89	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.	2.89	3	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	2.89	3	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.	3.12	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.89	3	0	1-benzofurans; aromatic ketone	uricosuric drug
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.	2.01	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.	2.07	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
bicalutamide bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.	2.08	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	2.89	3	0
bufexamac Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.	2.89	3	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine cadralazine: structure given in first source	2.89	3	0	organic molecular entity
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.	2.46	2	0	aromatic ether; nitrile; polyether; tertiary amino compound
carvedilol [no description available]	2.63	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib [no description available]	2.82	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.63	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chelerythrine chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.	2.08	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness	2.89	3	0	diarylmethane
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	2.02	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
ci 994 tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.	2.89	3	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.	2.59	2	0
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.	7.68	5	4	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
fenbendazole Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	2.89	3	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	2.15	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
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.	6.68	5	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	2.08	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
go 6976 [no description available]	2.89	3	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
gossypol Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.	3.57	2	0
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.	2.08	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.	2.89	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
homochlorocyclizine homochlorocyclizine: RN given refers to parent cpd	2.89	3	0	diarylmethane
hydroxyurea [no description available]	9.35	1	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	2.89	3	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ifenprodil ifenprodil: NMDA receptor antagonist	2.89	3	0	piperidines
indirubin-3'-monoxime indirubin-3'-monoxime: has antiangiogenic activity. indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.08	1	0
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone ZM39923: structure in first source	2.89	3	0	naphthalenes
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.89	3	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
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.	2.75	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.89	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
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.	2.08	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
letrozole [no description available]	9.77	2	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
lg 100268 LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source	2.08	1	0
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.42	2	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.89	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mefloquine hydrochloride [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.	2.02	1	0	organofluorine compound; piperidines; quinolines; secondary alcohol
mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.	2.89	3	0	aromatic ether; glycerol ether
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.	2.08	1	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
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.	2.46	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
entinostat [no description available]	2.08	1	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	2.89	3	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
olprinone olprinone: RN refers to HCl; structure given in first source	2.08	1	0	bipyridines
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.	2.08	1	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
oxibendazole oxibendazole: structure	2.89	3	0	benzimidazoles; carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine 4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source	2.89	3	0
pamidronate [no description available]	2.02	1	0	phosphonoacetic acid
pd 153035 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source. PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.	2.01	1	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pd 98059 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.	2.46	2	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.89	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.89	3	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	2.08	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.89	3	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
pyrimethamine Maloprim: contains above 2 cpds	2.02	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available]	2.83	3	0	indoles
riluzole Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.	2.08	1	0	benzothiazoles
ro 31-8220 Ro 31-8220: a protein kinase C inhibitor	2.89	3	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole [no description available]	2.89	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
sb 206553 SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source	2.08	1	0	pyrroloindole
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.	2.08	1	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	2.08	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sk&f 86002 6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole: inhibits p38 MAP kinase	2.08	1	0	imidazoles
imatinib [no description available]	2.08	1	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	3.07	4	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) 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.	2.08	1	0
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available]	2.08	1	0	stilbenoid
temozolomide [no description available]	8.45	1	1	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
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.	4.24	5	0	phthalimides; piperidones
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available]	2.59	2	0	stilbenoid
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	2.15	1	0	aromatic ketone
troglitazone Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.	2.08	1	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
urethane [no description available]	2.03	1	0	carbamate ester	fungal metabolite; mutagen
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.89	3	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine zotepine: structure	2.89	3	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole.	3.41	1	0	benzimidazole; polycyclic heteroarene
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.	2.03	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
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	2.02	1	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	3.48	1	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
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.	21.15	284	96	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	2.45	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	2.03	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	2.03	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	2.89	3	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
gliotoxin Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi.	3.27	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	2.89	3	0	aromatic ketone
cytarabine [no description available]	8.76	9	4	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.	2.21	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	2.89	3	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	2.89	3	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
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.	8.93	6	4	pyrrole; secondary amine
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	2.31	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
4-tert-octylphenol 4-tert-octylphenol: structure given in first source	2.89	3	0	alkylbenzene
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.	7.14	11	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.	2.05	1	0	1-benzofurans; benzofuran
thiazoles [no description available]	2.02	1	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	5.77	6	1	diazine; pyrazines	Daphnia magna metabolite
hydrazine diamine : Any polyamine that contains two amino groups.	3.55	2	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.89	3	0	methoxybenzenes; phenols
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.	10.05	7	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	2.89	3	0	ergoline alkaloid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	2.89	3	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
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	3.07	4	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	2.07	1	0	C-nitro compound; imidazoles	antitubercular agent
formestane [no description available]	2.08	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.	2.43	2	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
hydroxychloroquine sulfate [no description available]	2.08	1	0
etonitazene etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals	2.89	3	0
deoxycytidine [no description available]	9.14	13	8	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
arsenic trioxide Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy.	2.47	2	0
amiloride hydrochloride, anhydrous amiloride hydrochloride : A hydrochloride obtained by combining amiloride with one molar equivalent of hydrochloric acid.	2.08	1	0	hydrochloride	diuretic; sodium channel blocker
clothiapine clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine	2.89	3	0	dibenzothiazepine
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	2.89	3	0	aromatic ketone
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.89	3	0	phenothiazines
acadesine [no description available]	2.08	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
cladribine [no description available]	2.45	2	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
vidarabine adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.	3.84	2	1	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	7.1	1	0	D-galactosamine; primary amino compound	toxin
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	7	7	2	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
vinyl carbamate vinyl carbamate: promutagen & more carcinogenic analog of ethyl carbamate (urethane); structure	2.03	1	0	carbamate ester
thenalidine thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure	2.89	3	0	dialkylarylamine; tertiary amino compound
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.	5.05	3	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.89	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.	2.07	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer	2.89	3	0	chlorphenamine
dv 1006 [no description available]	2.89	3	0
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.	2.08	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	7.37	5	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide [no description available]	6.62	6	2	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
climbazole 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.	2.89	3	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
lonidamine lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.	2.08	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
triadimenol triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.	2.89	3	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	8.45	1	1	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
amonafide xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor	2.89	3	0	isoquinolines
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	2.06	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
flupirtine flupirtine: RN given refers to parent cpd without isomeric designation	2.89	3	0	aminopyridine
chaetochromin chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A	2.89	3	0
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.89	3	0	aromatic ketone
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	3.15	5	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
mifepristone Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.	2.03	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	2.08	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
pravadoline [no description available]	2.08	1	0
zileuton [no description available]	2.08	1	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
niguldipine [no description available]	2.08	1	0	diarylmethane
sch 37370 N-acetyldesloratadine: dual antagonist of platelet-activating factor and histamine	3.12	1	0
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	2.46	2	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
eliprodil 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.	2.08	1	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
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.	8.37	11	6	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
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	2.89	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
atorvastatin [no description available]	2.87	3	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
irinotecan [no description available]	6.49	4	2	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
capecitabine Capecitabine: A deoxycytidine derivative and fluorouracil PRODRUG that is used as an ANTINEOPLASTIC ANTIMETABOLITE in the treatment of COLON CANCER; BREAST CANCER and GASTRIC CANCER.. capecitabine : A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers.	6.5	4	2	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.08	1	0
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.	2.08	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.02	1	0	organic bromide salt	colorimetric reagent; dye
n-acetylaspartic acid N-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.	3.48	1	1	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
bendamustine [no description available]	2.08	1	0	benzimidazoles
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.21	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
caroverine caroverine: structure	2.08	1	0	quinoxaline derivative
indocate [no description available]	2.89	3	0
cgs 9343b [no description available]	2.08	1	0	benzimidazoles
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.	2.08	1	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.08	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
N(4)-acetylsulfathiazole N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.	2.89	3	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	5.03	3	1	1,2,3-triazole
cyclizine hydrochloride [no description available]	2.59	2	0
2,3-trimethylene-4-quinazolone 2,3-trimethylene-4-quinazolone: structure in first source	2.89	3	0	quinazolines
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.	2.43	2	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
1,3-dimethyluric acid 1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.	2.89	3	0	oxopurine	metabolite
danofloxacin [no description available]	2.89	3	0	quinolines
nitrefazole [no description available]	2.89	3	0	imidazoles
alacepril [no description available]	2.08	1	0	dipeptide; thioacetate ester	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ubenimex ubenimex: growth inhibitor	2.08	1	0
7-hydroxystaurosporine [no description available]	2.04	1	0
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.89	3	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
honokiol [no description available]	2.89	3	0	biphenyls
9-methoxyellipticine 9-methoxyellipticine: RN given refers to parent cpd	2.89	3	0
3-aminophenoxazone 3-aminophenoxazone: also inhibits sulfatase; structure	2.89	3	0	phenoxazine
3-deazaneplanocin 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist	2.89	3	0
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.89	3	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
2-chlorodiazepam [no description available]	2.89	3	0
Polycartine B [no description available]	2.89	3	0	phenazines
aminoquinuride dihydrochloride [no description available]	2.89	3	0
thioproperazine mesylate [no description available]	2.89	3	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.89	3	0	6-isopentenylaminopurine	cytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.89	3	0	sulfonamide
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.63	2	0
fulvestrant Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.. fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.	9.35	1	1	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
sr141716 [no description available]	2.89	3	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
vinpocetine [no description available]	2.08	1	0
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide [no description available]	2.59	2	0	aromatic ketone
deguelin deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source. deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers.	2.08	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
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.	2.89	3	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
triptolide [no description available]	2.08	1	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
tesmilifene [no description available]	2.89	3	0	diarylmethane
tamibarotene tamibarotene: has retinoid-binding activity. tamibarotene : A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine.	3.15	1	0	dicarboxylic acid monoamide; retinoid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
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.	3.11	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine [no description available]	4.07	4	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
sr 48692 SR 48692: structure in first source; a neurotensin receptor-1 antagonist	2.08	1	0	N-acyl-amino acid
elacridar Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source	2.08	1	0
sr 27897 SR 27897: structure given in first source; a CCK(A) receptor antagonist	2.89	3	0	indolyl carboxylic acid
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	7.9	11	1	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib [no description available]	6.53	7	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
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)	2.89	3	0	leucine derivative
bay x 1005 2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acid: inhibits synthesis of leukotriene B4 and 5-hydroxyeicosatetraenoic acid; inhibits five-lipoxygenase activating protein(FLAP)and leukotriene A4 hydrolase(LTA4H); structure given in first source;	2.08	1	0
norketamine norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation	2.89	3	0	organochlorine compound
indatraline indatraline: RN given for (trans)-isomer; structure in first source	2.63	2	0	indanes
lestaurtinib [no description available]	2.95	4	0	indolocarbazole
gyki 53655 GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist	2.08	1	0
methotrexate [no description available]	2.89	3	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
salvinorin a salvinorin A: from the herb, Salvia divinorum	2.21	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide 4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol	2.89	3	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.89	3	0	phenylindole
ml-3000 [no description available]	2.08	1	0
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	2.89	3	0	piperidines
cd 437 CD 437: selective for retinoic acid receptors gamma. CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.	2.08	1	0	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	5.77	6	1	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
perifosine [no description available]	2.08	1	0	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
r115777 [no description available]	2.93	4	0
lonafarnib lonafarnib: inhibitor of farnesyl protein transferase. lonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor.	15.29	37	1	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
dx 8951 [no description available]	2.89	3	0	pyranoindolizinoquinoline
mk 767 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide: an antihyperlipidemic agent that also functions as an insulin sensitizer, PPARalpha agonist, and PPARgamma agonist; structure in first source	2.08	1	0
vatalanib [no description available]	4.04	2	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
cyc 682 sapacitabine: structure in first source. sapacitabine : A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML).	2.47	2	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
bazedoxifene acetate [no description available]	2.08	1	0
canertinib [no description available]	2.08	1	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
birb 796 [no description available]	2.08	1	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	3.07	4	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
org 31710 Org 31710: structure given in first source; progestational hormone antagonist	2.03	1	0
avasimibe [no description available]	2.89	3	0	monoterpenoid
sb 203580 [no description available]	2.08	1	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
enzastaurin [no description available]	2.08	1	0	indoles; maleimides
erlotinib [no description available]	2.08	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
erlotinib hydrochloride [no description available]	5.73	3	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
piboserod Serotonin 5-HT4 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT4 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN RECEPTOR AGONISTS.	2.08	1	0
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	2.02	1	0	divalent inorganic anion; phosphite ion
l 163191 [no description available]	3.07	4	0
dizocilpine [no description available]	2.89	3	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
bd 1047 N-(2-(3,4-Dichlorphenyl)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin: sigma receptor ligand; putative sigma receptor antagonist with antidystonic activity	2.08	1	0	primary amine
s-benzylcysteine [no description available]	2.89	3	0	S-aryl-L-cysteine zwitterion
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.89	3	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
lapatinib [no description available]	3.07	4	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib [no description available]	10.29	13	8	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
lenalidomide [no description available]	2.97	4	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
l 778,123 L 778,123: prenyltransferase inhibitor; structure in first source. L-778,123 hydrochloride : The hydrochloride salt of L-778,123. It is a dual inhibitor of FPTase and GGPTase-I (IC50 of 2nM and 98nm, respectively) and exhibits anti-cancer properties.	6.35	8	0	hydrochloride	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent
l 778,123 L-778,123 (free base) : A member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I.	4.58	4	0	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.08	1	0	aminoquinoline
roxindole [no description available]	2.89	3	0	indoles	alpha-adrenergic antagonist; serotonergic drug
sr 142806 [no description available]	2.08	1	0
conidendrin [no description available]	2.89	3	0
3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.	2.08	1	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
Porfiromycine [no description available]	2.89	3	0	mitomycin
lanosterol [no description available]	2.02	1	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.05	1	0
nsc 95397 [no description available]	2.89	3	0	1,4-naphthoquinones
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.89	3	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.89	3	0
homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.	3.35	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
elesclomol [no description available]	2.08	1	0	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer
wortmannin [no description available]	2.17	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
niguldipine hydrochloride [no description available]	2.63	2	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available]	2.89	3	0	thiophenes
nsc 663284 NSC 663284: structure in first source	2.08	1	0	quinolone
bortezomib [no description available]	7.22	9	2	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.	3.06	4	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
fti 276 FTI 276: a ras CAAX (C - Cys; A - aliphatic amino acid; X - Ser or Met) peptidomimetic; inhibits farnesyltransferase; FTI-277 is the methyl ester derivative of FTI-276	4.37	3	0	methionine derivative
lb42908 LB42908: structure in first source. LB42908 : A member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity.	2.07	1	0
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.53	2	0	cyclohexenones
cimadronate cimadronate: increases serum 1,25-dihydroxyvitamin D in rats via stimulating renal 1-hydroxylase activity; structure given in first source	2.02	1	0
nsc 23766 [no description available]	2.08	1	0	aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound	antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist
carboplatin [no description available]	2.43	2	0
Destruxin B [no description available]	2.89	3	0	cyclodepsipeptide
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	3.85	3	0	3,5-dihydroxy-3-methylpentanoic acid
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.89	3	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.21	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	2.44	2	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
farnesol Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.	2.03	1	0	farnesol	plant metabolite
farnesyl pyrophosphate farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation. 2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate.	3.84	3	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
geranylgeranyl pyrophosphate geranylgeranyl pyrophosphate: RN given refers to (E,E,E)-isomer. geranylgeranyl diphosphate : A polyprenol diphosphate having geranylgeranyl as the polyprenyl component.. 2-trans,6-trans,10-trans-geranylgeranyl diphosphate : The all-trans-isomer of geranylgeranyl diphosphate.	2.06	1	0	geranylgeranyl diphosphate	mouse metabolite
a 228839 A 228839: an immunosuppressive agent; structure in first source	2.01	1	0
gw 3965 GW 3965: a liver X receptor ligand	2.08	1	0	diarylmethane
y 27632 Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source. Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.	2.08	1	0	aromatic amide
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.	7.82	19	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
6-bromoindirubin-3'-oxime 6-bromoindirubin-3'-oxime: structure in first source. 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.08	1	0
purvalanol b purvalanol B: protein kinase inhibitor; structure in first source	2.08	1	0	purvalanol	protein kinase inhibitor
y-700 [no description available]	2.08	1	0
repsox RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect	2.08	1	0	pyrazolopyridine
afimoxifene afimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.	2.03	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
decitabine [no description available]	9.91	6	0	2'-deoxyribonucleoside
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	2.43	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
sitafloxacin [no description available]	2.21	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
posaconazole [no description available]	2.97	4	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
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]	2.08	1	0	tropane alkaloid
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.89	3	0
jp-1302 [no description available]	2.89	3	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one [no description available]	2.89	3	0	benzodiazepine
tenatoprazole Tenatoprazole: structure in first source	2.89	3	0	imidazopyridine
geraniol [no description available]	2.48	2	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
s 1033 [no description available]	3.07	4	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
benidipine hydrochloride [no description available]	2.59	2	0
benidipine benidipine: RN refers to (R,R)-(+-)-isomer	2.21	1	0
fludarabine [no description available]	3.84	2	1	purine nucleoside
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one [no description available]	2.89	3	0	quinazolines
sesquiterpenes [no description available]	4.34	3	0
chlorprothixene (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration.	2.89	3	0	chlorprothixene
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.	2.08	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	2.89	3	0
rg108 RG108: DNA methyltransferase inhibitor; structure in first source	2.08	1	0	indolyl carboxylic acid
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	methoxybenzenes; substituted aniline
stf 083010 [no description available]	2.08	1	0
3-hydroxypyridine, sodium salt [no description available]	2.89	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available]	3.07	4	0	naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide 3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source	2.89	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline [no description available]	2.89	3	0	aromatic amine
cct018159 CCT018159: structure in first source. CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.	2.08	1	0	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide [no description available]	2.89	3	0	piperidinecarboxamide
secinh3 SecinH3: a small molecule antagonist of cytohesins; structure in first source	2.08	1	0	triazoles
jk184 JK184: structure in first source	2.08	1	0
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide [no description available]	2.89	3	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide [no description available]	2.89	3	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone [no description available]	2.89	3	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide [no description available]	2.89	3	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide [no description available]	2.89	3	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione [no description available]	2.89	3	0	maleimides
Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.	2.89	3	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one [no description available]	2.89	3	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available]	2.89	3	0	pyrroles
tamoxifen citrate [no description available]	2.08	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
tamoxifen [no description available]	5.81	4	2	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
hc-067047 HC-067047: a TRPA1 antagonist; structure in first source	2.08	1	0
bi-78d3 [no description available]	3.07	4	0	aryl sulfide
gsk 3787 [no description available]	2.08	1	0
kartogenin kartogenin: promotes chondrocyte differentiation; structure in first source	2.89	3	0
methyl-thiohydantoin-tryptophan methyl-thiohydantoin-tryptophan: structure in first source	2.08	1	0	organonitrogen compound; organooxygen compound
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester [no description available]	2.08	1	0	monocarboxylic acid
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide [no description available]	2.08	1	0	sulfonamide
LSM-1318 [no description available]	2.08	1	0	oxa-steroid
fti 277 [no description available]	3.27	1	0
toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.	2.21	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
rwj 67657 RWJ 67657: inhibits p38 mitogen-activated protein kinase; structure in first source	2.08	1	0
ggti 286 GGTI 286: the methyl ester of GGTI-287; inhibits geranylgeranyltransferase	3.27	1	0
6-methyl-2-(phenylethynyl)pyridine 6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist. 2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.	2.08	1	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
bms 387032 N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source. N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.	2.08	1	0	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
chaetomellic acid a chaetomellic acid A: structure given in first source; an inhibitor of farnesyl-protein transferase	2.25	1	0
tandutinib [no description available]	2.08	1	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745 [no description available]	3.07	4	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
corlanor ivabradine hydrochloride : A hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure.	2.08	1	0	hydrochloride	cardiotonic drug
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).	3.07	4	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
laromustine laromustine: has antineoplastic activity	3.55	2	0
zd 6474 CH 331: structure in first source	3.07	4	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide [no description available]	2.63	2	0	indoles
compound 968 compound 968: a glutaminase inhibitor. 5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one : A partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5.	2.08	1	0	benzophenanthridine	EC 3.5.1.2 (glutaminase) inhibitor
nih-12848 NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source	2.89	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide [no description available]	2.89	3	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone [no description available]	2.89	3	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile [no description available]	2.89	3	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [no description available]	2.89	3	0	aromatic ketone
sb-224289 SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo.	2.08	1	0	1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound	serotonergic antagonist
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	oxopurine
gw 7647 GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.	2.08	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester [no description available]	2.89	3	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
l 663536 MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.	2.08	1	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
LSM-1924 [no description available]	2.89	3	0	organic heterotricyclic compound; organooxygen compound
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine [no description available]	2.08	1	0	imidazoles
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine [no description available]	2.08	1	0	aromatic amine; tertiary amino compound
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	3.45	1	1
ferrostatin-1 ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals.	2.89	3	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester [no description available]	2.08	1	0	isoquinolines
sch 79797 [no description available]	2.08	1	0	quinazolines
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine [no description available]	2.89	3	0	C-nitro compound
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor	2.08	1	0	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
rabeprazole(1-) [no description available]	2.63	2	0	organic nitrogen anion
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one [no description available]	2.08	1	0	monobactam
imd 0354 N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source	2.08	1	0	benzamides
ex 527 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.	2.08	1	0	carbazoles; monocarboxylic acid amide; organochlorine compound
ncgc00099374 [no description available]	2.89	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide [no description available]	2.89	3	0	benzamides
quercetin [no description available]	2.08	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
luteolin [no description available]	2.89	3	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
cyclosporine [no description available]	2.21	1	0
kaempferol [no description available]	2.89	3	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein [no description available]	3.07	4	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
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.	2.44	2	0	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
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.	2.89	3	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin [no description available]	2.89	3	0	triterpenoid
geranylgeraniol (E,E,E)-geranylgeraniol : A geranylgeraniol in which all four double bonds have E- (trans-) geometry.	2.03	1	0	geranylgeraniol
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.89	3	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein [no description available]	2.89	3	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
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.31	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
isotretinoin Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.	3.5	1	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
neticonazole neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.	2.89	3	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid.	2.89	3	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.89	3	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	10.23	3	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
alpha-zearalenol [no description available]	2.89	3	0	macrolide
alvocidib alvocidib: structure given in first source. alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.	2.04	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.	2.08	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
su 9516 [no description available]	2.89	3	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.89	3	0	triazolopyrimidines
ter 199 [no description available]	2.08	1	0
arachidonylcyclopropylamide arachidonylcyclopropylamide: a potent and selective agonist of neuronal cannabinoid receptor; structure in first source	2.08	1	0
sb 277011 SB 277011: structure in first source	2.89	3	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.	2.02	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
ly 320135 LY 320135: cannabinoid receptor antagonist; structure in first source	2.08	1	0	benzofurans
pd 166285 [no description available]	2.08	1	0
sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source	2.89	3	0
sr 59230a [no description available]	2.89	3	0	tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available]	2.89	3	0	pyrimidines
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	3.07	4	0	piperazines
su 6656 SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source. SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.	2.08	1	0
andrographolide [no description available]	3.41	1	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
MeJA [no description available]	2.89	3	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source	2.89	3	0
pd 161570 PD 161570: structure in first source	2.89	3	0
semaxinib semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.	2.08	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
su 11248 [no description available]	9.07	7	4	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib [no description available]	4.49	6	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621 [no description available]	3.07	4	0	sulfonamide
guttiferone e guttiferone E: isolated from the fruits of Garcinia pyrifera collected in Malaysia; structure in first source	3.27	1	0
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	2.47	2	0	metalloid atom; pnictogen	micronutrient
geldanamycin [no description available]	2.08	1	0
virginiamycin factor s1 virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others.	2.89	3	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
cisplatin [no description available]	2.08	1	0	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent
s-trans,trans-farnesylthiosalicylic acid farnesylthiosalicylic acid: structure in first source	3.41	1	0	sesquiterpenoid
vx680 [no description available]	2.08	1	0	N-arylpiperazine
arglabin arglabin: a sesquiterpene lactone from the Chinese herb Artemisia myriantha; structure given in first source. arglabin : An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers.	3.12	1	0	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.	2.63	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	2.89	3	0
gw-5074 [no description available]	2.21	1	0
d 4476 [no description available]	2.08	1	0	imidazoles
cyc 116 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source	2.08	1	0
bay 19-8004 BAY 19-8004: a PDE4 inhibitor; structure in first source	2.08	1	0
manumycin manumycin: an NSAID; RN given for (1S-(1alpha,3(2E,4E,6S*),5alpha,5(1E,3E,5E),6alpha))-isomer; a farnesyl protein transferase inhibitor; from Streptomyces parvulus; MF C31-H38-N2-O7; structure given in first source. manumycin A : A polyketide with formula C31H38N2O7 initially isolated from Streptomyces parvulus as a result of a random screening program for farnesyl transferase (FTase) inhibitors. It is a natural product that exhibits anticancer and antibiotic properties.	3.9	3	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
everolimus [no description available]	3.35	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
axitinib [no description available]	2.08	1	0	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
pai 039 tiplaxtinin: inhibitor of plasminogen activator inhibitor-1	2.08	1	0	indole-3-acetic acids
l 744832 L 744832: a CaaX peptidomimetic; a specific farnesyl-protein transferase inhibitor; structure given in first source. L-744,832 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoic acid with the amino group of propan-2-yl (2S)-2-amino-4-(methylsulfonyl)butanoate. It is a farnesyltransferase inhibitor that exhibits anticancer properties.	2.03	1	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
belotecan belotecan: structure in first source	2.89	3	0	pyranoindolizinoquinoline
tanespimycin CP 127374: analog of herbimycin A	2.74	3	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
norgestimate [no description available]	2.89	3	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.89	3	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
gw2974 GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2	2.08	1	0	pyridopyrimidine
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine [no description available]	2.89	3	0
methiazole methiazole: a parasitostatic agent	2.89	3	0	benzimidazoles; carbamate ester
sb 218795 SB 218795: structure in first source	2.89	3	0	quinolines
bvt.948 [no description available]	2.89	3	0
ispinesib [no description available]	2.08	1	0	benzamides
fk 866 N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source	2.21	1	0	benzamides; N-acylpiperidine
a 38503 [no description available]	2.89	3	0
temsirolimus [no description available]	2.08	1	0	macrolide lactam
bay 12-9566 Bay 12-9566: an angiogenesis inhibitor with matrix metalloproteinase inhibitory activity	3.11	1	0	biphenyls; organochlorine compound
pd 184352 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source	3.54	2	0	aminobenzoic acid
bibx 1382bs BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001	2.08	1	0	substituted aniline
panobinostat Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.. panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.	2.02	1	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42 HDAC-42: structure in first source	2.08	1	0	amidobenzoic acid
staurosporine staurosporinium : Conjugate acid of staurosporine.	3.13	5	0	ammonium ion derivative
parthenolide [no description available]	2.58	2	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633 N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source	2.89	3	0
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone [no description available]	2.08	1	0	benzamides; N-acylpiperidine
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
iniparib [no description available]	2.08	1	0	carbonyl compound; organohalogen compound
mk 0752 [no description available]	2.08	1	0
gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.	3.07	4	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
av 412 [no description available]	2.08	1	0
ag-041r AG-041R: structure in first source	2.08	1	0
telatinib [no description available]	2.08	1	0
dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.	2.89	3	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
ggti 298 GGTI 298: inhibits geranylgeranyltransferase-I; structure in first source	3.53	2	0	leucine derivative
cp 547632 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source	2.08	1	0
spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source	3.07	4	0
lenvatinib lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.	7.69	5	4	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
andarine [no description available]	2.08	1	0	acetamides; anilide
gw843682x [no description available]	2.08	1	0	(trifluoromethyl)benzenes
pd 0325901 mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor. PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).	2.08	1	0	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	3.47	7	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
ag 14361 [no description available]	2.08	1	0	benzimidazoles
sb 265610 [no description available]	2.08	1	0
sch 44342 SCH 44342: inhibits farnesyl protein transferase; structure in first source	3.12	1	0
valnemulin [no description available]	2.63	2	0
lonafarnib 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide : A benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-b]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an N-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group.	2.43	2	0	benzocycloheptapyridine; heteroarylpiperidine; N-acylpiperidine; organobromine compound; organochlorine compound; ureas
nu 7026 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source	2.89	3	0	organic heterotricyclic compound; organooxygen compound
fr 148083 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.	2.08	1	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.08	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source	3.07	4	0	aromatic amide
ki 20227 [no description available]	2.08	1	0
scio-469 SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004. talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties.	2.08	1	0	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.	2.89	3	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
ssr 69071 SSR 69071: structure in first source	2.08	1	0	pyridopyrimidine
l 692585 [no description available]	2.89	3	0	peptide
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	3.07	4	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
sb 210313 [no description available]	2.08	1	0
ggti 2147 [no description available]	2.03	1	0
gw 4064 [no description available]	2.08	1	0	stilbenoid
nnc 26-9100 NNC 26-9100: structure in first source	2.89	3	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine [no description available]	2.89	3	0
sa 4503 [no description available]	2.08	1	0
ic 87114 IC 87114: structure in first source	2.08	1	0	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zibotentan ZD4054: a potent endothelin receptor A antagonist that inhibits ovarian carcinoma cell proliferation	2.08	1	0	phenylpyridine
tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source	3.07	4	0	aromatic ether
hki 272 [no description available]	2.53	2	0	nitrile; quinolines	antineoplastic agent; tyrosine 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.	2.08	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bibr 1532 [no description available]	2.08	1	0
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available]	3.07	4	0
rucaparib AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	2.08	1	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cediranib [no description available]	2.08	1	0	aromatic ether
tae226 TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source	2.89	3	0	morpholines
gw0742 GW 610742: structure in first source	3.07	4	0	monocarboxylic acid
ps1145 PS1145: IkappaB kinase inhibitor; structure in first source	2.08	1	0	beta-carbolines
bay 41-8543 BAY 41-8543: structure in first source	2.08	1	0	pyrazolopyridine
u 18666a 3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor.	2.89	3	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
chir 99021 Chir 99021: structure in first source. CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.	2.08	1	0	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor	3.07	4	0	quinoxaline derivative
ne 10790 [no description available]	2.08	1	0
way-362450 [no description available]	2.08	1	0	indoles
masitinib [no description available]	2.08	1	0	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor
bx795 BX795: structure in first source	3.07	4	0	ureas
lb42708 LB42708: farnesyltransferase inhibitor; structure in first source	3.27	1	0
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	2.08	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
sepantronium sepantronium: a survivin suppressant with antineoplastic activity. sepantronium : An organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group.	2.08	1	0	organic cation
azd 6244 AZD 6244: a MEK inhibitor	3.07	4	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source	3.07	4	0
bay 61-3606 [no description available]	2.89	3	0	pyrimidines
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline.	2.08	1	0	1,3,4-oxadiazoles; benzamides; biphenyls; nitrile	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ar c155858 AR C155858: an MCT1 inhibitor; structure in first source	2.08	1	0
aee 788 AEE 788: structure in first source	2.08	1	0	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug
saracatinib [no description available]	2.08	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
sd-208 [no description available]	3.07	4	0
vx 702 VX 702: a p38 MAP kinase inhibitor	2.08	1	0	phenylpyridine
crenolanib [no description available]	2.89	3	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466 CJ 033466: structure in first source	2.89	3	0
cc 401 CC 401: an anthrapyrazolone	2.89	3	0	pyrazoles; ring assembly
volasertib BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source	2.08	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.	3.07	4	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine.	2.89	3	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.17	1	0
azd 7762 [no description available]	2.08	1	0	aromatic amide; thiophenes
cariprazine cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.	2.89	3	0
krp-203 [no description available]	3.07	4	0
mk 0354 [no description available]	2.08	1	0
regorafenib [no description available]	3.07	4	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867 [no description available]	2.89	3	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available]	3.07	4	0	pyrroloquinoline
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one [no description available]	2.08	1	0	methoxybenzenes; substituted aniline
ptc 124 [no description available]	2.89	3	0	oxadiazole; ring assembly
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.63	2	0
abt-737 [no description available]	3.15	1	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
brivanib [no description available]	2.08	1	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
icg 001 [no description available]	2.08	1	0	peptide
mp470 [no description available]	2.08	1	0	N-arylpiperazine
nu 7441 8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source	2.08	1	0	dibenzothiophenes
at 7519 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.	2.08	1	0	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bi 2536 [no description available]	3.07	4	0
danusertib [no description available]	2.08	1	0	piperazines
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide [no description available]	2.08	1	0	benzamides
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide [no description available]	2.08	1	0	benzamides
abt 869 [no description available]	2.08	1	0	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 1152 AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.	2.89	3	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
dorsomorphin dorsomorphin: an AMPK inhibitor. dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.	2.08	1	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
ac 261066 [no description available]	2.08	1	0
carfilzomib [no description available]	3.07	4	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
gw9508 GW9508: structure in first source	2.08	1	0	aromatic amine
jnj 26854165 [no description available]	2.08	1	0
pf 573228 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source	2.08	1	0	quinolines
gw 2580 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source	2.08	1	0
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	3.07	4	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.. crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)	2.08	1	0	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile [no description available]	2.08	1	0	benzimidazoles
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide Vx-11e: ERK1-2 inhibitor	2.08	1	0	aromatic amide; heteroarene
osi 906 [no description available]	2.08	1	0	cyclobutanes; quinolines
ly2109761 [no description available]	2.08	1	0
chir-265 [no description available]	2.08	1	0	aromatic ether
motesanib [no description available]	3.07	4	0	pyridinecarboxamide
az-628 AZ-628: a multikinase inhibitor; structure in first source	2.08	1	0	benzamides
trametinib [no description available]	2.08	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
pf-562,271 [no description available]	3.07	4	0	indoles
gliocladin c gliocladin C: structure in first source	2.89	3	0
losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.	4.32	3	0
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine: structure in first source. halicin : A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties.	3.27	1	0	1,3-thiazoles; C-nitro compound; organic sulfide; primary amino compound; thiadiazoles	antibacterial agent; c-Jun N-terminal kinase inhibitor
sb 706504 [no description available]	2.89	3	0
veliparib [no description available]	2.08	1	0	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ku-0060648 [no description available]	3.07	4	0	dibenzothiophenes
dactolisib dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR. dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.	2.08	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
bgt226 BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.	2.89	3	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
palomid 529 [no description available]	2.08	1	0
n-desmethyldanofloxacin N-desmethyldanofloxacin: structure given in first source	2.89	3	0
rabeprazole sodium [no description available]	2.15	1	0	organic sodium salt
tosedostat [no description available]	2.08	1	0	carboxylic ester; hydroxamic acid; secondary carboxamide
mdv 3100 [no description available]	2.08	1	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
ku 60019 [no description available]	2.08	1	0
gsk 461364 GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1	2.08	1	0	(trifluoromethyl)benzenes
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide: a MEK inhibitor; structure in first source	2.08	1	0
azd 1152-hqpa AZD2811: has antineoplastic activity; structure in first source	2.63	2	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
CDN1163 CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA).	2.89	3	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
nvp-tae684 [no description available]	2.08	1	0	piperidines
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.02	1	0
sch 54292 SCH 54292: structure in first source	3.41	1	0
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source	2.08	1	0
gsk 269962a [no description available]	3.07	4	0
a-83-01 A-83-01: an ALK-5 inhibitor; structure in first source	2.08	1	0
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one [no description available]	2.08	1	0	indoles
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.	2.08	1	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
buparlisib NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source	2.08	1	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480 [no description available]	2.08	1	0
pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor	2.89	3	0
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.	3.27	1	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
fedratinib fedratinib: a selective small-molecule inhibitor of JAK2	2.08	1	0	sulfonamide
gsk690693 [no description available]	2.52	2	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024 [no description available]	2.08	1	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
ku 0063794 Ku 0063794: an mTOR inhibitor; structure in first source	2.08	1	0	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor
azd 7545 AZD 7545: an anilide tertiary carbinol; a pyruvate dehydrogenase kinase 2 inhibitor. AZD7545 : A sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM).	2.08	1	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
nvp-bhg712 [no description available]	2.89	3	0	benzamides
nutlin-3b [no description available]	2.08	1	0	Nutlin; piperazinone	anticoronaviral agent
pf 04217903 [no description available]	3.07	4	0	quinolines
gdc 0941 pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.	2.08	1	0	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sm 164 SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first source	2.08	1	0	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one [no description available]	2.89	3	0	aromatic ketone
ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.	3.07	4	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pha 408 PHA 408: an IKK-2 antagonist; structure in first source	2.08	1	0
gsk 1016790a GSK1016790A : A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel.	2.08	1	0	1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide	TRPV4 agonist
olaparib [no description available]	2.08	1	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1720 [no description available]	3.07	4	0
plx 4720 PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source	2.08	1	0	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
cx 4945 [no description available]	2.08	1	0
cudc 101 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source	2.08	1	0
purfalcamine purfalcamine: a PfCDPK-1 inhibitor; structure in first source	2.89	3	0
mln 8237 MLN 8237: an aurora kinase A inhibitor	2.08	1	0	benzazepine
lde225 sonidegib: specific Smoothened/Smo antagonist. sonidegib : A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma.	2.08	1	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gdc 0449 HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity	2.08	1	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
sgx 523 [no description available]	2.08	1	0	aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine	c-Met tyrosine kinase inhibitor; nephrotoxic agent
bms 754807 BMS 754807: an IGR-1R kinase inhibitor; structure in first source	2.89	3	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bms 777607 N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source	2.08	1	0	aromatic amide
sgi 1776 SGI 1776: a Pim kinase inhibitor; structure in first source	2.08	1	0	imidazoles
delanzomib [no description available]	3.15	1	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
pci 32765 ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.	2.08	1	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib [no description available]	4.36	5	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
amg 900 N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source	2.08	1	0
mk-1775 adavosertib: a Wee1 kinase inhibitor; structure in first source	2.08	1	0	piperazines
bag956 BAG956: an imidazo[4,5-c]quinoline; dual PI3K/PDK-1 inhibitor, used in antileukemic therapies	2.08	1	0
quizartinib [no description available]	4.32	5	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121 [no description available]	2.89	3	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester CAY10603: a HDAC6 inhibitor	2.08	1	0	carbamate ester
tak 733 [no description available]	2.08	1	0
mk 2206 MK 2206: a protein kinase inhibitor and antineoplastic agent	2.08	1	0	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
navitoclax [no description available]	4.32	5	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
sns 314 SNS 314: an aurora kinase inhibitor; structure in first source	2.08	1	0	ureas
jzl 184 JZL 184: inhibits monoacylglycerol lipase; structure in first source	2.08	1	0	benzodioxoles
gsk 650394 [no description available]	2.89	3	0	phenylpyridine
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source. momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.	2.08	1	0	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ter 199 gamma-Glu-S-BzCys-PhGly diethyl ester: a glutathione-S-transferase (GST) inhibitor; structure given in first source	3.15	1	0
dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent	3.07	4	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
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.	8.13	8	4	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide [no description available]	2.08	1	0	benzamides
incb-018424 [no description available]	3.57	2	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bix 01294 [no description available]	2.08	1	0	piperidines
pf 3845 PF 3845: inhibits fatty acid amide hydrolase	2.08	1	0	piperidines
TAK-580 MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.	2.89	3	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
gsk 2126458 omipalisib: inhibitor of mTOR protein. omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.	2.08	1	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one [no description available]	2.89	3	0	chromones
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.	2.08	1	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
ldn 193189 LDN 193189: inhibits bone morphogenetic protein signaling	2.08	1	0	pyrimidines
pf 3758309 PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source	2.89	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
azd2014 vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source	2.17	1	0
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source	2.63	2	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
plx4032 [no description available]	2.08	1	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol [no description available]	2.08	1	0	biphenyls
gsk 1363089 GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source	2.08	1	0	aromatic ether
kin-193 [no description available]	2.08	1	0	pyridopyrimidine
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
bay 869766 [no description available]	2.08	1	0
baricitinib [no description available]	2.89	3	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
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester WYE-354: an mTOR inhibitor; structure in first source	2.08	1	0	carbamate ester
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.89	3	0	quinazolines
piperidines Piperidines: A family of hexahydropyridines.	9.76	27	1
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	3.07	4	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide [no description available]	2.89	3	0	hydroxyquinoline
p505-15 [no description available]	2.89	3	0
mrt67307 MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source	2.89	3	0	aromatic amine
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline [no description available]	2.08	1	0	benzenes; sulfonamide
cp 466722 [no description available]	2.08	1	0	quinazolines
CAY10626 [no description available]	2.08	1	0	ureas
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide [no description available]	2.89	3	0	piperazines
thiopental sodium [no description available]	2.08	1	0	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor
ribociclib ribociclib: inhibits both CDK4 and CDK6	2.89	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone [no description available]	2.89	3	0	aromatic ketone; thienopyrimidine
pha 793887 [no description available]	3.07	4	0	piperidinecarboxamide
gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source	2.21	1	0	indazoles
nvp-bsk805 [no description available]	2.08	1	0
ml228 probe ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.	2.89	3	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
xmd 8-92 XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway.	2.08	1	0	pyrimidobenzodiazepine	protein kinase inhibitor
pf-03882845 [no description available]	2.89	3	0
jq1 compound [no description available]	3.07	4	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
jnj38877605 [no description available]	2.08	1	0	quinolines
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide [no description available]	2.08	1	0	benzothiazoles
pf-04620110 PF-04620110: a DGAT1 inhibitor; structure in first source	2.89	3	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	2.89	3	0	benzodiazepine
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.21	1	0	dipeptide
torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	3.07	4	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199 venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.	2.89	3	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
ly2940680 [no description available]	2.08	1	0
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available]	3.07	4	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide [no description available]	2.89	3	0	(trifluoromethyl)benzenes
ro 4929097 [no description available]	2.08	1	0	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor
ncgc00242364 NCGC00242364: structure in first source	2.89	3	0	quinazolines
gsk4112 GSK4112: a Rev-erbalpha agonist; structure in first source	2.08	1	0
torin 2 torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	2.08	1	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
pf-4708671 [no description available]	2.08	1	0
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	2.89	3	0	imidazoquinoline
hs-173 [no description available]	2.89	3	0
sr1664 [no description available]	2.89	3	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source	2.89	3	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide [no description available]	2.83	3	0	benzamides; N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.59	2	0	aminoquinoline
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide : A member of the class of quinazolines that is quinazoline substituted by {3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino and 3-(2-methoxyacetamido)prop-1-en-1-yl groups at positions 4 and 6, respectively.	2.08	1	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
belinostat [no description available]	2.08	1	0	olefinic compound
cudc-907 [no description available]	2.89	3	0
methacycline Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6.	2.21	1	0
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate: RN & structure given in first source	2.08	1	0	carboxylic acid; pyrroline
methacycline monohydrochloride [no description available]	2.59	2	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid [no description available]	2.89	3	0	quinolines
a 769662 [no description available]	2.08	1	0	biphenyls
agi-5198 AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source	2.89	3	0
byl719 [no description available]	2.6	1	0	proline derivative
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	4.72	5	0
cep-32496 agerafenib: inhibitor of RAF family kinases; structure in first source	2.89	3	0
epz004777 [no description available]	2.89	3	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound
LimKi 3 LIMKi3: LIMK inhibitor. LimKi 3 : A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2.	2.08	1	0	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone [no description available]	2.08	1	0	pyrroles
entecavir [no description available]	2.89	3	0	benzamides; N-acylpiperidine
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole [no description available]	2.08	1	0	dipyrrins
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide [no description available]	2.08	1	0	tryptamines
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione [no description available]	2.08	1	0	pyrazines
gsk837149a GSK837149A: structure in first source	2.08	1	0
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.08	1	0	quinazolines
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide [no description available]	2.08	1	0	quinazolines
wnt-c59 2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide: a PORCN acyltransferase inhibitor; structure in first source	2.08	1	0
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime [no description available]	2.08	1	0	indanes
gkt137831 setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative	2.89	3	0
vx-509 [no description available]	2.89	3	0
vx-970 berzosertib: an ATR kinase inhibitor	2.89	3	0	sulfonamide
gs-9973 [no description available]	2.89	3	0
amg 925 AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML).	2.89	3	0
gne-618 GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source	2.89	3	0
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.89	3	0
volitinib [no description available]	2.89	3	0
ML355 ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.	2.89	3	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196 acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.	2.89	3	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).	2.89	3	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780 AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source	2.89	3	0
khs101 KHS101: a small molecule accelerates neuronal differentiation in the adult rat	2.89	3	0
cb-839 [no description available]	2.89	3	0
gsk-j4 GSK-J4: a JMJD3 inhibitor; structure in first source	2.89	3	0	organonitrogen heterocyclic compound
pf-06424439 PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source	2.89	3	0
etp-46464 ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source	2.89	3	0
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.03	1	0
onc201 TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source	2.89	3	0
kai407 KAI407: an antimalarial; structure in first source	2.89	3	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source	2.89	3	0
enasidenib [no description available]	2.89	3	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429 OICR-9429: antineoplastic; structure in first source	2.89	3	0
lly-507 LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.	2.89	3	0
oblimersen oblimersen: targets the Bcl-2 oncogene good efficacy with low toxicity tumour regressions	4.03	2	0
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	2.13	1	0
at 9283 [no description available]	2.89	3	0
chir 258 [no description available]	2.08	1	0
osi 027 OSI 027: inhibits both mTORC1 and mTORC2; structure in first source	2.08	1	0
guanosine triphosphate Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.	3.12	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanine [no description available]	3.11	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hypoxanthine [no description available]	2.89	3	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.89	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	3.45	1	1	dacarbazine
hli 373 [no description available]	2.08	1	0
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).	3.54	2	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
1-hydroxyphenazine 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.	2.89	3	0	phenazines
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.	2.08	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.	2.08	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
xav939 XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source. XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group.	2.08	1	0	(trifluoromethyl)benzenes; thiopyranopyrimidine	tankyrase inhibitor
2-carboxyarabinitol 1-phosphate [no description available]	2.08	1	0
ro 24-7429 Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9	2.89	3	0	benzodiazepine
nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.	3.07	4	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.89	3	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.	3.07	4	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
sb-590885 N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine : A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.	2.08	1	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
rvx 208 apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation	2.89	3	0
bmn 673 talazoparib: inhibits both PARP1 and PARP2; structure in first source	2.89	3	0
pf-477736 PF 00477736: a Chk1 inhibitor; structure in first source. PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).	2.08	1	0
thiamet g [no description available]	3.27	1	0
fenobam fenobam: in USAN fenobam refers to monohydrate	2.08	1	0	ureas
ARS-1620 ARS-1620: covalent S-IIP G12C inhibitor for targeting of KRAS G12C mutant tumors. ARS-1620 : A qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals.	3.41	1	0	quinazolines	antineoplastic agent; antiviral agent; inhibitor
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	7.25	1	0

tipifarnib

Cross-References

Synonyms (75)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (3)

Drug Classes (4)

Protein Targets (24)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (72)

Molecular Functions (49)

Ceullar Components (28)

Bioassays (103)

Research

Studies (305)

Market Indicators

Research Demand Index: 42.59

Study Types

Clinical Trials (88)

Trial Overview

Trial Outcomes

Median Time to Progression Using the 2-Dimensional World Health Organization (WHO) Solid Tumor Method

Median Time to Progression Using the Conventional 1-Dimensional Response Evaluation Criteria in Solid Tumors (RECIST) Method

Number of Participants With Adverse Events

Median Time to Progression

Quality of Life (QOL)

Maximal Tolerating Dose (MTD for Phase I)

Mean Tumor to Gray Matter Ratio Measured at Baseline

Change From Baseline in Diffusion Ratio at Two Weeks After Completion of Radiation.

Change From Baseline in Perfusion Ratio at Two Weeks After Completion of Radiation

Change From Baseline in Volume FLAIR at Two Weeks After Completion of Radiation

Mean Tumor to White Matter Ratio Measured at Baseline

Number of Participants in the Phase I Component With Dose-limiting Toxicities (DLTs) Observed During the First 8 Weeks (Courses 1 and 2) of Tipifarnib Therapy

Progression-free Survival (PFS)

Median Overall Survival

Duration of Response

Time to Progression (TTP)

Toxicity as Assessed by NCI CTCAE Version 3.0

Clinical Benefit Rate (CBR) (CR Rate, PR Rate, and SD)

Number of Patients Who Experienced Grade 3 or 4 Toxicities

Duration of Response

Time to Progression

Proportion of Participants With Confirmed Response (Complete Response, Unconfirmed Complete Response, or Partial Response) During the First 6 Courses of Treatment

Overall Survival

Disease-free Survival

Overall Survival

Number of Participants With Complete Response

One-year Overall Survival

Response Rate (Complete and Partial)

Toxicity

4-month Progression-free Survival

Pharmacokinetic Max Concentration (Cmax) of Group 2 Sorafenib and Temsirolimus (Phase I)

Plasma Time Curve (AUC) of Group 2 Sorafenib and Temsirolimus (Phase I)

Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg BID (Level 1)

Plasma Time Curve (AUC) of Group 3 Phase I Sorafenib and Tipifarnib 100mg QD (Level -1)

Trough Concentration Group 2 Sorafenib and Temsirolimus (Phase I)

Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase I)

Number of High Grade (3 and 4) Related Adverse Events of Each Combination Agent Combined With BAY 43-9006 (Phase 2)

Progression-free Survival at 6 Months (Phase II)

Maximum Tolerated Dose (MTD) of the Each Combination Agent Combined With a Fixed Dose of BAY 43-9006 Determined by Dose-limiting Toxicities (DLT) (Phase I)

Objective Response Rate in Patients With Measurable Disease (Phase II)

Pharmacokinetic AUC 0-12 Group 1 Sorafenib and Erlotinib (Phase I)

Pharmacokinetic cMax Group 1 Sorafenib and Erlotinib (Phase I)

Pharmacokinetic CpMax Concentration of Group 3 Sorafenib and Tipifarnib (Phase I) 100mg BID

Pharmacokinetic Cpmax Group 3 Sorafenib and Tipifarnib (Phase I) 100 mg QD (Level -1)

Pathologic Complete Response Rate (pCR)

Number of Participants Analyzed for Phase II Dose of Tipifarnib When Combined With Weekly Sequential Paclitaxel (Phase I)

Complete Response

Complete Remission (CR) Rate

Number of Participants With Relapse Free Survival