romidepsin : A cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail. [CHeBI]
| Assay ID | Title | Year | Journal | Article |
|---|
| AID540213 | Half life in human after iv administration | 2008 | Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X | Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. |
| AID540209 | Volume of distribution at steady state in human after iv administration | 2008 | Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X | Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. |
| AID721607 | Growth inhibition of human SF295 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1188993 | Inhibition of HDAC5 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1462230 | Inhibition of BRD4 (unknown origin) | 2017 | Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17
ISSN: 1464-3405 | Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors. |
| AID721454 | Growth inhibition of human DU145 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077033 | Cytotoxicity against human DU145 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID496803 | Inhibition of human HDAC3 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID721589 | Growth inhibition of human OVCAR4 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID623373 | Cytotoxicity against human A498 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1250650 | Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID331900 | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay | 2008 | Bioorganic & medicinal chemistry letters, May-01, Volume: 18, Issue:9
ISSN: 1464-3405 | Development of a fluorescence polarization based assay for histone deacetylase ligand discovery. |
| AID623365 | Cytotoxicity against human UO31 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623412 | Antitumor activity against human SF295 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID90670 | Inhibitory concentration against human Histone deacetylase 1 (C151S) | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID721593 | Growth inhibition of human DMS114 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1188980 | Inhibition of HDAC4 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1250655 | Antiproliferative activity against human U937 cells after 72 hrs by CCK8 assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID673993 | Inhibition of recombinant HDAC6 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis | 2012 | ACS medicinal chemistry letters, Jun-14, Volume: 3, Issue:6
ISSN: 1948-5875 | Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group. |
| AID1275078 | Inhibition of recombinant human HDAC6 | 2016 | Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
ISSN: 1464-3405 | Novel thiol-based histone deacetylase inhibitors bearing 3-phenyl-1H-pyrazole-5-carboxamide scaffold as surface recognition motif: Design, synthesis and SAR study. |
| AID721451 | Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1182193 | Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol | 2014 | Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
ISSN: 1464-3391 | Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors. |
| AID623408 | Antitumor activity against human NCI-H522 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077040 | Cytotoxicity against human ACHN cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID620963 | Selectivity ratio of IC50 for recombinant human HDAC1/N-CoR2 to IC50 for recombinant human HDAC3/N-CoR2 | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID1188994 | Inhibition of HDAC7 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1119933 | Selectivity ratio of IC50 for human recombinant HDAC6 to IC50 for human recombinant HDAC1 | 2012 | MedChemComm, Aug-01, Volume: 3, Issue:8
ISSN: 2040-2503 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from |
| AID623376 | Cytotoxicity against human Caki1 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID765387 | Inhibition of recombinant human HDAC7 enzyme using Ac-LeuGlyLys (tfa)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID721452 | Inhibition of human HDAC1 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077074 | Inhibition of human HDAC1 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721592 | Growth inhibition of human DMS273 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID620964 | Selectivity ratio of IC50 for recombinant human HDAC2/N-CoR2 to IC50 for recombinant human HDAC3/N-CoR2 | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID721586 | Growth inhibition of human SKOV3 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1250649 | Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1077065 | Cytotoxicity against human U251 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID620944 | Inhibition of recombinant human HDAC9 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID623402 | Antitumor activity against human COLO205 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623407 | Antitumor activity against human NCI-H23 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID673991 | Inhibition of recombinant HDAC2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis | 2012 | ACS medicinal chemistry letters, Jun-14, Volume: 3, Issue:6
ISSN: 1948-5875 | Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group. |
| AID623377 | Cytotoxicity against human SN12C cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID765386 | Inhibition of recombinant human HDAC9 enzyme using Ac-LeuGlyLys (tfa)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID721448 | Inhibition of class 1 HDAC (unknown origin) | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077053 | Cytotoxicity against human NCI-H522 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID230221 | Inhibitory concentration against HDAC6/HDAC1 | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID496806 | Inhibition of human HDAC6 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID90698 | Inhibitory concentration against human Histone deacetylase 4 | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID1077056 | Cytotoxicity against human HCT15 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623367 | Cytotoxicity against human MDA-MB-468 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1188995 | Inhibition of HDAC8 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID721613 | Growth inhibition of human BSY1 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID765388 | Inhibition of recombinant human HDAC5 enzyme using Ac-LeuGlyLys (tfa)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID623400 | Antitumor activity against human SF295 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721601 | Growth inhibition of human HCT15 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID765392 | Inhibition of recombinant human HDAC2 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID1254044 | Antiproliferative activity against human IGROV1 cells assessed as cell viability incubated for 72 hrs by coulter counter method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID1250640 | Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID695593 | Inhibition of HDAC1 by fluorimetric assay in presence of DTT | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID623405 | Antitumor activity against human MDA-MB-435 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623375 | Cytotoxicity against human NCI-H322M cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623401 | Antitumor activity against human U251 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721597 | Growth inhibition of human NCI-H23 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077051 | Cytotoxicity against human A549 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623410 | Antitumor activity against human OVCAR5 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID496801 | Inhibition of human HDAC1 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID765391 | Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID623399 | Antitumor activity against human MDA-MB-231 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1188997 | Inhibition of HDAC6 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1073051 | Reactivation of latent HIV1 NL4-3-Luc expression in human naive CD4+ T cells treated 7 days post-infection measured after 48 hrs by luminescence plate reader analysis | 2014 | Journal of natural products, Mar-28, Volume: 77, Issue:3
ISSN: 1520-6025 | Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells. |
| AID1188986 | Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID620937 | Inhibition of recombinant human HDAC1/NCOR2 using Boc-L-Lys(epsilon-acetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID1073050 | Reactivation of latent HIV1 NL4-3-Luc expression in human naive CD4+ T cells treated 7 days post-infection measured after 48 hrs by luminescence plate reader analysis relative to SAHA-treated control | 2014 | Journal of natural products, Mar-28, Volume: 77, Issue:3
ISSN: 1520-6025 | Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells. |
| AID1119931 | Inhibition of human recombinant HDAC6 after 1 hr by luminescence assay | 2012 | MedChemComm, Aug-01, Volume: 3, Issue:8
ISSN: 2040-2503 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from |
| AID496805 | Inhibition of human HDAC5 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1188987 | Antiproliferative activity against human HCT116 cells after 48 hrs in presence of DTT by MTT assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1077048 | Cytotoxicity against human DMS273 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID765385 | Inhibition of recombinant human HDAC6 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID765384 | Inhibition of recombinant human HDAC10 enzyme using tetrapeptide Ac-ArgThr-Lys(Ac)Lys(Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID721614 | Growth inhibition of human HBC4 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID765383 | Inhibition of recombinant human HDAC11 enzyme using Ac-LeuGlyLys(Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID1250644 | Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1182195 | Increase in human wild type p21 protein expression in mink Mv1Lu cells after 24 hrs by p21 promoter assay in presence of 0.1 mM dithiothreitol | 2014 | Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
ISSN: 1464-3391 | Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors. |
| AID623404 | Antitumor activity against human LOXIMVI cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077066 | Cytotoxicity against human MDA-MB-231 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623444 | Antitumor activity against human OVCAR5 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077072 | Selectivity index, ratio of IC50 for mouse HDAC6 to IC50 for human HDAC1 | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1077068 | Cytotoxicity against human MCF7 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623416 | Antitumor activity against human LOXIMVI cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721453 | Growth inhibition of human PC3 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID623371 | Cytotoxicity against human U251 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1250657 | Antiproliferative activity against human WI38 cells after 72 hrs by CCK8 assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1119929 | Inhibition of human recombinant HDAC1 after 1 hr by luminescence assay | 2012 | MedChemComm, Aug-01, Volume: 3, Issue:8
ISSN: 2040-2503 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from |
| AID721594 | Growth inhibition of human NCI-H460 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077032 | Cytotoxicity against human PC3 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID765389 | Inhibition of recombinant human HDAC4 enzyme using Ac-LeuGlyLys (tfa)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID1077059 | Cytotoxicity against human SNB78 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID695595 | Inhibition of HDAC4 by fluorimetric assay in presence of DTT | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID695597 | Inhibition of HDAC6 by fluorimetric assay in presence of DTT | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID1077044 | Cytotoxicity against human OVCAR5 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623378 | Cytotoxicity against human NCI60 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID90704 | Inhibitory concentration against human Histone deacetylase 6 | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID721600 | Growth inhibition of human HT-29 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077070 | Cytotoxicity against human HBC4 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1250666 | Inhibition of HDAC6 in human U937 cells assessed as reduction of alpha-tubilin acetylation at 5 nM to 5 uM after 24 hrs by Western blot analysis | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1077055 | Cytotoxicity against human HCT116 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1250645 | Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID620945 | Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 0.2 mM H2O2 (Rvb = 0.018 uM) | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID623369 | Cytotoxicity against human COLO205 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623403 | Antitumor activity against human SW620 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721459 | Growth inhibition of human St-4 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721455 | Growth inhibition of human MKN45 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721587 | Growth inhibition of human OVCAR5 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID620947 | Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 1 mM H2O2 (Rvb = 0.018 uM) | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID496807 | Inhibition of human HDAC7 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1250658 | Selectivity ratio of GI50 for human DU145 cells to GI50 for human HLF cells | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1077069 | Cytotoxicity against human BSY1 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1119932 | Selectivity ratio of IC50 for human recombinant HDAC4 to IC50 for human recombinant HDAC1 | 2012 | MedChemComm, Aug-01, Volume: 3, Issue:8
ISSN: 2040-2503 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from |
| AID623374 | Cytotoxicity against human SF295 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1250648 | Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID90836 | Tested for inhibition of Histone deacetylase 6 induced acetylated tubulin in mammalian cells. | 2003 | Journal of medicinal chemistry, Nov-06, Volume: 46, Issue:23
ISSN: 0022-2623 | Discovery of (aryloxopropenyl)pyrrolyl hydroxyamides as selective inhibitors of class IIa histone deacetylase homologue HD1-A. |
| AID695594 | Inhibition of HDAC4 by fluorimetric assay | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID1077050 | Cytotoxicity against human NCI-H460 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID90679 | Inhibition of Histone deacetylase 1 induced acetylated histone in mammalian cells. | 2003 | Journal of medicinal chemistry, Nov-06, Volume: 46, Issue:23
ISSN: 0022-2623 | Discovery of (aryloxopropenyl)pyrrolyl hydroxyamides as selective inhibitors of class IIa histone deacetylase homologue HD1-A. |
| AID1188985 | Inhibition of HDAC10 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID623406 | Antitumor activity against human UACC62 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077054 | Cytotoxicity against human NCI-H23 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721583 | Growth inhibition of human MKN1 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1250642 | Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID623372 | Cytotoxicity against human MDA-MB-231 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721603 | Growth inhibition of human KM12 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID331899 | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay | 2008 | Bioorganic & medicinal chemistry letters, May-01, Volume: 18, Issue:9
ISSN: 1464-3405 | Development of a fluorescence polarization based assay for histone deacetylase ligand discovery. |
| AID721584 | Growth inhibition of human RXF631L cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID765390 | Inhibition of recombinant human HDAC8 enzyme using Ac-LeuGlyLys (tfa)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID1250653 | Antiproliferative activity against human DU145 cells after 72 hrs by CCK8 assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1254049 | Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID721456 | Growth inhibition of human MKN74 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721596 | Growth inhibition of human NCI-H522 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID623366 | Cytotoxicity against human ACHN cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623411 | Antitumor activity against human MDA-MB-231 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID620942 | Inhibition of recombinant human HDAC7 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID623418 | Antitumor activity against human UACC62 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077046 | Cytotoxicity against human OVCAR3 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721449 | Selectivity index, ratio of IC50 for mouse HDAC6 to IC50 for human HDAC1 | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077037 | Cytotoxicity against human MKN28 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623409 | Antitumor activity against human OVRAC3 cells implanted subcutaneously in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID620939 | Inhibition of recombinant human HDAC3/NCOR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID721602 | Growth inhibition of human HCC2998 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721605 | Growth inhibition of human SNB75 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077052 | Cytotoxicity against human NCI-H226 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID673990 | Inhibition of recombinant HDAC1 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis | 2012 | ACS medicinal chemistry letters, Jun-14, Volume: 3, Issue:6
ISSN: 1948-5875 | Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group. |
| AID1254046 | Antiproliferative activity against human HCT116 cells assessed as cell viability incubated for 72 hrs by coulter counter method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID721585 | Growth inhibition of human ACHN cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1250654 | Antiproliferative activity against human MOLT4 cells after 72 hrs by CCK8 assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID721608 | Growth inhibition of human U251 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID695592 | Inhibition of HDAC1 by fluorimetric assay | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID496802 | Inhibition of human HDAC2 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID620940 | Inhibition of recombinant human HDAC4 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID1250656 | Antiproliferative activity against human HLF cells after 72 hrs by CCK8 assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1077039 | Cytotoxicity against human St-4 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID90686 | Inhibitory concentration against human Histone deacetylase 2 | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID1275076 | Inhibition of HDAC in human HeLa nuclear extract | 2016 | Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
ISSN: 1464-3405 | Novel thiol-based histone deacetylase inhibitors bearing 3-phenyl-1H-pyrazole-5-carboxamide scaffold as surface recognition motif: Design, synthesis and SAR study. |
| AID1250643 | Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID303346 | Growth inhibition of MCF7 cells | 2007 | Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
ISSN: 0022-2623 | The first biologically active synthetic analogues of FK228, the depsipeptide histone deacetylase inhibitor. |
| AID303347 | Inhibition of HDAC in HeLa nuclear extract in presence of DTT | 2007 | Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
ISSN: 0022-2623 | The first biologically active synthetic analogues of FK228, the depsipeptide histone deacetylase inhibitor. |
| AID303349 | Inhibition of HDAC6 in presence of DTT | 2007 | Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
ISSN: 0022-2623 | The first biologically active synthetic analogues of FK228, the depsipeptide histone deacetylase inhibitor. |
| AID1077060 | Cytotoxicity against human HCC2998 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID496809 | Inhibition of human HDAC9 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1275077 | Inhibition of recombinant human HDAC1 | 2016 | Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
ISSN: 1464-3405 | Novel thiol-based histone deacetylase inhibitors bearing 3-phenyl-1H-pyrazole-5-carboxamide scaffold as surface recognition motif: Design, synthesis and SAR study. |
| AID721611 | Growth inhibition of human MCF7 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721598 | Growth inhibition of human NCI-H226 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID603218 | Inhibition of HDAC in human HeLa cell extracts assessed as conversion of dithiothreitol to dithiol after 1 hr by Flour-de-Lys assay | 2011 | Bioorganic & medicinal chemistry, Jun-15, Volume: 19, Issue:12
ISSN: 1464-3391 | Total synthesis of largazole and analogues: HDAC inhibition, antiproliferative activity and metabolic stability. |
| AID721599 | Growth inhibition of human HCT116 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721604 | Growth inhibition of human SNB78 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077067 | Cytotoxicity against human HBC5 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721588 | Growth inhibition of human OVCAR8 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID714187 | Inhibition of HDAC-mediated HIF-1alpha activity in mouse LLC cells | 2012 | European journal of medicinal chemistry, Mar, Volume: 49ISSN: 1768-3254 | Recent advances in hypoxia-inducible factor (HIF)-1 inhibitors. |
| AID1254047 | Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID1250647 | Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1077047 | Cytotoxicity against human LOXIMVI cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1077034 | Cytotoxicity against human MKN45 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623417 | Antitumor activity against human MDA-MB-435 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623441 | Antitumor activity against human NCI-H23 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077045 | Cytotoxicity against human OVCAR4 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1182194 | Ratio of IC50 for mouse HDAC6 to IC50 for human HDAC1 in presence of 0.1 mM dithiothreitol | 2014 | Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
ISSN: 1464-3391 | Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors. |
| AID1077061 | Cytotoxicity against human SNB75 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721591 | Growth inhibition of human OVCAR3 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077042 | Cytotoxicity against human SKOV3 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1077041 | Cytotoxicity against human RXF631L cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623442 | Antitumor activity against human NCI-H522 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1182191 | Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol | 2014 | Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
ISSN: 1464-3391 | Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors. |
| AID620943 | Inhibition of recombinant human HDAC8 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID695596 | Inhibition of HDAC6 by fluorimetric assay | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID623370 | Cytotoxicity against human UACC257 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID721590 | Growth inhibition of human LOXIMVI cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1254045 | Antiproliferative activity against human IGROV1/Pt1 cells assessed as cell viability incubated for 72 hrs by coulter counter method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID721606 | Growth inhibition of human SF539 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID496808 | Activity of human HDAC8 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID620941 | Inhibition of recombinant human HDAC6 using Boc-L-Lys(epsilon-acetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID496804 | Inhibition of human HDAC4 | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1077057 | Cytotoxicity against human HT-29 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721610 | Growth inhibition of human MDA-MB-231 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1188977 | Inhibition of HDAC1 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1077035 | Cytotoxicity against human MKN74 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1250646 | Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID90700 | Inhibition of Histone deacetylase 4 in mammalian cells. | 2003 | Journal of medicinal chemistry, Nov-06, Volume: 46, Issue:23
ISSN: 0022-2623 | Discovery of (aryloxopropenyl)pyrrolyl hydroxyamides as selective inhibitors of class IIa histone deacetylase homologue HD1-A. |
| AID1188979 | Inhibition of HDAC3 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID1077036 | Cytotoxicity against human MKN7 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1119930 | Inhibition of human recombinant HDAC4 after 1 hr by luminescence assay | 2012 | MedChemComm, Aug-01, Volume: 3, Issue:8
ISSN: 2040-2503 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from |
| AID721595 | Growth inhibition of human A549 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID721457 | Growth inhibition of human MKN28 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077064 | Cytotoxicity against human SF268 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1077073 | Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID721609 | Growth inhibition of human SF268 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID1077049 | Cytotoxicity against human DMS114 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID673992 | Inhibition of recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis | 2012 | ACS medicinal chemistry letters, Jun-14, Volume: 3, Issue:6
ISSN: 1948-5875 | Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group. |
| AID620938 | Inhibition of recombinant human HDAC2/NCOR2 using Boc-L-Lys(epsilon-acetyl)-AMC as substrate by two-step fluorogenic assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID1182192 | Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol | 2014 | Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
ISSN: 1464-3391 | Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors. |
| AID721612 | Growth inhibition of human HBC5 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID331898 | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from HDAC in human HeLa nuclear cell extract by fluorescence p | 2008 | Bioorganic & medicinal chemistry letters, May-01, Volume: 18, Issue:9
ISSN: 1464-3405 | Development of a fluorescence polarization based assay for histone deacetylase ligand discovery. |
| AID540210 | Clearance in human after iv administration | 2008 | Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X | Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. |
| AID1254048 | Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method | 2015 | Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21
ISSN: 1464-3391 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. |
| AID623413 | Antitumor activity against human U251 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID90669 | Inhibitory concentration against human Histone deacetylase 1 | 2003 | Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
ISSN: 0022-2623 | Histone deacetylase inhibitors. |
| AID1077063 | Cytotoxicity against human SF539 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID695598 | Inhibition of HDAC assessed as induction of p21 promoter expression by cell-based assay | 2012 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21
ISSN: 1464-3405 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. |
| AID303348 | Inhibition of HDAC1 in presence of DTT | 2007 | Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
ISSN: 0022-2623 | The first biologically active synthetic analogues of FK228, the depsipeptide histone deacetylase inhibitor. |
| AID623415 | Antitumor activity against human SW620 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID623368 | Cytotoxicity against human RXF393 cells after 6 days by MTT assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID765393 | Inhibition of recombinant human HDAC1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins | 2013 | Journal of medicinal chemistry, Aug-22, Volume: 56, Issue:16
ISSN: 1520-4804 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as β²- epi-Azumamide E and β³-epi-Azumamide E. |
| AID1077038 | Cytotoxicity against human MKN1 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID620946 | Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 0.4 mM H2O2 (Rvb = 0.018 uM) | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities. |
| AID1077043 | Cytotoxicity against human OVCAR8 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID623414 | Antitumor activity against human COLO205 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077062 | Cytotoxicity against human SF295 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1188978 | Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID540212 | Mean residence time in human after iv administration | 2008 | Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X | Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. |
| AID1250641 | Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay | 2015 | Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19
ISSN: 1520-4804 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. |
| AID1188996 | Inhibition of HDAC9 (unknown origin) at 1 uM incubated for 30 mins in presence of BSA and DTT by fluorescence assay | 2014 | ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8
ISSN: 1948-5875 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
| AID721458 | Growth inhibition of human MKN7 cells by sulforhodamine B colorimetric method | 2013 | European journal of medicinal chemistry, Feb, Volume: 60ISSN: 1768-3254 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. |
| AID623443 | Antitumor activity against human OVRAC3 cells implanted intraperitoneally in mouse assessed as inhibition of tumor cell growth at 1.6 to 2.4 mg/kg, ip administered on day 1 to 4 measured on day 5 by hollow fiber assay | 2011 | Journal of natural products, Oct-28, Volume: 74, Issue:10
ISSN: 1520-6025 | Histone deacetylase inhibitors from Burkholderia thailandensis. |
| AID1077058 | Cytotoxicity against human KM12 cells by SRB assay | 2014 | European journal of medicinal chemistry, Apr-09, Volume: 76ISSN: 1768-3254 | Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity. |
| AID1346032 | Human histone deacetylase 6 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346077 | Human histone deacetylase 3 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346131 | Human histone deacetylase 7 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346104 | Human histone deacetylase 4 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346068 | Human histone deacetylase 8 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346082 | Human histone deacetylase 2 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346066 | Human histone deacetylase 5 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346134 | Human histone deacetylase 1 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1346090 | Human histone deacetylase 9 (3.5.1.- Histone deacetylases (HDACs)) | 2010 | Nature chemical biology, Mar, Volume: 6, Issue:3
ISSN: 1552-4469 | Chemical phylogenetics of histone deacetylases. |
| AID1797826 | HDAC Enzyme Activity Assay from Article 10.1021/jm0703800: \\The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor.\\ | 2007 | Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
ISSN: 0022-2623 | The first biologically active synthetic analogues of FK228, the depsipeptide histone deacetylase inhibitor. |
| AID1347414 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Secondary screen by immunofluorescence | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| 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
ISSN: 1554-8937 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| protocatechuic acid | | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminolevulinic acid | | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gallic acid | | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| perillic acid | | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid | antineoplastic agent;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pk 11195 | | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 173074 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminopropionitrile | | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(n,n-hexamethylene)amiloride | | aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines | antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-dihydroxyflavone | | dihydroxyflavone | antidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 48-8071 | | aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound | antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rtki cpd | | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfuzosin | | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| am 251 | | amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles | antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| am 580 | | amidobenzoic acid;
tetralins | antineoplastic agent;
retinoic acid receptor alpha/beta agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminoglutethimide | | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amsacrine | | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anastrozole | | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azathioprine | | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azelaic acid | | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| berberine | | alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound | antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| buformin | | biguanides | antineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| busulfan | | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camostat | | benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carmustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgs 15943 | | aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline | adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chelerythrine | | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorambucil | | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ci 994 | | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ciglitazone | | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cl 387785 | | bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clioquinol | | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofibric acid | | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dacarbazine | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dequalinium | | quinolinium ion | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3'-diindolylmethane | | indoles | antineoplastic agent;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disulfiram | | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ebselen | | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ellipticine | | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| embelin | | dihydroxy-1,4-benzoquinones | antimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| emodin | | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etanidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etidronate | | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluorouracil | | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| miltefosine | | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-thujaplicin | | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxyurea | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ifosfamide | | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indole-3-carbinol | | indolyl alcohol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-lapachone | | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leflunomide | | (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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| letrozole | | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lomustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-anilino-5,8-quinolinedione | | aminoquinoline;
aromatic amine;
p-quinones;
quinolone | antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meclofenamic acid | | aminobenzoic acid;
organochlorine compound;
secondary amino compound | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vitamin k 3 | | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methoxsalen | | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nocodazole | | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midazolam | | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitoxantrone | | dihydroxyanthraquinone | analgesic;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entinostat | | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1), n(12)-diethylspermine | | polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nilutamide | | (trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nortriptyline | | organic tricyclic compound;
secondary amine | adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxyphenbutazone | | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 158780 | | aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phenylbutyric acid | | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxophenylarsine | | arsine oxides | antineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phloretin | | dihydrochalcones | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipobroman | | N-acylpiperazine;
organobromine compound;
tertiary carboxamide | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pj-34 | | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| procarbazine | | benzamides;
hydrazines | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salicylsalicylic acid | | benzoate ester;
benzoic acids;
phenols;
salicylates | antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| semustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imatinib | | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptonigrin | | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SU6656 | | oxindoles;
sulfonamide | antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vorinostat | | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulforaphane | | isothiocyanate;
sulfoxide | antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| suramin | | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| temozolomide | | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terazosin | | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2'-thiodiethanol | | aliphatic sulfide;
diol | antineoplastic agent;
antioxidant;
metabolite;
solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tilorone | | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| troglitazone | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitomycin | | mitomycin | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prednisolone | | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| floxuridine | | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prednisone | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| estrone | | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azauridine | | N-glycosyl-1,2,4-triazine | antimetabolite;
antineoplastic agent;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mechlorethamine hydrochloride | | hydrochloride | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allyl isothiocyanate | | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vincristine | | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyltestosterone | | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone | anabolic agent;
androgen;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dromostanolone | | 17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid | anabolic agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromodeoxyuridine | | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tributyrin | | butyrate ester;
triglyceride | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl methanesulfonate | | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triaziquone | | 1,4-benzoquinones;
aziridines | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubercidin | | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytarabine | | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trifluridine | | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| medroxyprogesterone acetate | | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluoxymesterone | | 11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid | anabolic agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rotenone | | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetopyrrothine | | acetamides;
dithiolopyrrolone antibiotic | angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenformin | | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibenzoylmethane | | aromatic ketone;
beta-diketone | antimutagen;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| suramin sodium | | organic sodium salt | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrazolanthrone | | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diazooxonorleucine | | amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid | analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azacitidine | | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diazomethane | | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| procarbazine hydrochloride | | hydrochloride | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naphthazarin | | hydroxy-1,4-naphthoquinone | acaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| liriodenine | | alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lucanthone | | thioxanthenes | adjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plumbagin | | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aloe emodin | | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| emetine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymoquinone | | 1,4-benzoquinones | adjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| podophyllotoxin | | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physcione | | dihydroxyanthraquinone | anti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dequalinium chloride | | organic chloride salt | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formestane | | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorotrianisene | | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| megestrol acetate | | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toyocamycin | | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside | antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxyacetanilide | | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methoxyacetic acid | | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hadacidin | | aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-fluoroadenine | | organofluorine compound;
purines | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetramethylpyrazine | | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanazole | | aromatic amine;
triazoles | antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diallyl trisulfide | | organic trisulfide | anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diallyl disulfide | | organic disulfide | antifungal agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenethyl isothiocyanate | | isothiocyanate | antineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucine | | aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound | antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acadesine | | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxifluridine | | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| megestrol | | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitomycin a | | ether;
mitomycin | alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cladribine | | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tabersonine | | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vidarabine | | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclophosphamide | | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| helenalin | | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etidronate disodium | | organic sodium salt | antineoplastic agent;
bone density conservation agent;
chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camptothecin | | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isopentenyladenosine | | N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue | antineoplastic agent;
plant growth regulator;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc-145,668 | | hydrochloride | antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ancitabine | | diol;
organic heterotricyclic compound | antimetabolite;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clodronic acid | | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetradecanoylphorbol acetate | | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptozocin | | N-acylglucosamine;
N-nitrosoureas | antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| daunorubicin | | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fludarabine phosphate | | nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate | antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,6-diaminopurine | | 2,6-diaminopurines;
primary amino compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silybin | | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucaric acid | | glucaric acid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| paclitaxel | | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etoposide | | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| promegestone | | 20-oxo steroid;
3-oxo-Delta(4) steroid | antineoplastic agent;
progesterone receptor agonist;
progestin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| perfosfamide | | nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide | alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nimustine | | aminopyrimidine;
N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lonidamine | | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vindesine | | methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epirubicin | | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diaziquone | | 1,4-benzoquinones;
aziridines;
carbamate ester;
enamine | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midazolam hydrochloride | | hydrochloride;
imidazobenzodiazepine | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oltipraz | | 1,2-dithiole;
pyrazines | angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fazarabine | | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitoxantrone hydrochloride | | hydrochloride | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bisantrene | | anthracenes;
hydrazone;
imidazolidines | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| swainsonine | | indolizidine alkaloid | antineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lovastatin | | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cabergoline | | N-acylurea | antineoplastic agent;
antiparkinson drug;
dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrogenase stabilizing-protective protein, bacteria | | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bmy 25067 | | C-nitro compound;
organic disulfide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brequinar | | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imiquimod | | imidazoquinoline | antineoplastic agent;
interferon inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aromasil | | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cidofovir anhydrous | | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| topotecan | | pyranoindolizinoquinoline | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gemcitabine hydrochloride | | hydrochloride;
organofluorine compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gemcitabine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| irinotecan | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| capecitabine | | carbamate ester;
cytidines;
organofluorine compound | antimetabolite;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nelfinavir mesylate | | methanesulfonate salt | antineoplastic agent;
HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nelfinavir | | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| betulinic acid | | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baicalin | | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 5-3335 | | 1,4-benzodiazepinone;
organochlorine compound;
pyrroles | anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plerixafor | | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epigallocatechin gallate | | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salvin | | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrrolidine dithiocarbamate | | dithiocarbamic acids;
pyrrolidines | anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triptonide | | butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound | anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-deoxyadenosine 5'-triphosphate | | purine ribonucleoside 5'-triphosphate | antifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxyestradiol | | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toxoflavin | | carbonyl compound;
pyrimidotriazine | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lupulon | | beta-bitter acid | angiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pinocembrin | | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tangeretin | | pentamethoxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethinylestradiol-3-sulfate | | 17beta-hydroxy steroid;
steroid sulfate | antineoplastic agent;
estrogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lonazolac | | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromopyruvate | | 2-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enrofloxacin | | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dexrazoxane | | razoxane | antineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| masoprocol | | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dw a 2114r | | platinum coordination entity;
pyrrolidines | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prednisolone phosphate | | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone | anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hesperetin | | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sesamin | | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| betulin | | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nobiletin | | methoxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| picropodophyllin | | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alantolactone | | naphthofuran;
olefinic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kaurenoic acid | | ent-kaurane diterpenoid | anti-HIV-1 agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydrocostus lactone | | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone | antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthomicrol | | dihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| voacamine | | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brazilin | | catechols;
organic heterotetracyclic compound;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uvaretin | | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fangchinoline | | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| maslinic acid | | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetrazolium violet | | organic chloride salt | antineoplastic agent;
apoptosis inducer;
dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| irinotecan hydrochloride | | hydrochloride | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-methyl-1-triazeno)imidazole-4-carboxamide | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxyguanidine | | guanidines;
one-carbon compound | antineoplastic agent;
antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cryptolepine | | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bexarotene | | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,4-dihydroxyphenylethanol | | catechols;
primary alcohol | antineoplastic agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terreic acid | | arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methylumbelliferyl glucuronide | | beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative | antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-hydroxyellipticine | | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nimustine | | hydrochloride | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-peltatin | | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-peltatin | | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cryptopleurine | | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sugiol | | abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols | antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eupatorin | | dihydroxyflavone;
polyphenol;
trimethoxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methyltryptophan | | non-proteinogenic alpha-amino acid;
tryptophan derivative | antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atromentin | | dihydroxy-1,4-benzoquinones;
polyphenol | antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diosgenin | | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-glutamyltryptophan | | dipeptide | angiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fulvestrant | | 17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide | antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ici 164384 | | 17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sn 38 | | delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol | antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hc toxin | | homodetic cyclic peptide;
tetrapeptide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deguelin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fingolimod | | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cafestol | | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamibarotene | | dicarboxylic acid monoamide;
retinoid;
tetralins | antineoplastic agent;
retinoic acid receptor alpha/beta agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ecteinascidin 743 | | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| homoorientin | | flavone C-glycoside;
tetrahydroxyflavone | antineoplastic agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kahweol | | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selenomethylselenocysteine | | non-proteinogenic alpha-amino acid;
selenocysteines | antineoplastic agent;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tephrosin | | aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
pesticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(tetradecyloxy)-2-furancarboxylic acid | | aromatic ether;
furoic acid | antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sc 58125 | | organofluorine compound;
pyrazoles;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marimastat | | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1'-acetoxychavicol acetate | | acetate ester;
phenylpropanoid | antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofarabine | | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dioscin | | hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside rh2 | | 12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trapoxin a | | epoxide;
homodetic cyclic peptide;
ketone | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| celastrol | | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-demethylepipodophyllotoxin | | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imatinib mesylate | | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminolevulinic acid hydrochloride | | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gefitinib | | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgp 42112a | | benzyl ester;
oligopeptide;
pyridinecarboxamide | angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vadimezan | | monocarboxylic acid;
xanthones | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubimaillin | | benzochromene;
methyl ester;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-carbamoylimidazolium 5-olate | | hydroxyimidazole;
monocarboxylic acid amide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 224070 | | 1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| psorospermin | | epoxide;
organic heterotetracyclic compound;
xanthones | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ay 25545 | | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methotrexate | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,7-dihydroxytropolone | | alpha-hydroxy ketone;
cyclic ketone;
enol;
triol | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delphinidin | | 5-hydroxyanthocyanidin | antineoplastic agent;
biological pigment;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamsulosin | | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| saintopin | | tetracenequinones | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | | monoterpenoid;
organobromine compound;
organochlorine compound | algal metabolite;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ilomastat | | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abiraterone | | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines | antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yakuchinone-a | | ketone;
monomethoxybenzene;
phenols | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pomalidomide | | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tempol | | aminoxyls;
hydroxypiperidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selenomethylselenocysteine | | amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 10-propargyl-10-deazaaminopterin | | N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| docetaxel | | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| docetaxel anhydrous | | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 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 | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclacinomycin | | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-azauridine-5'-monophosphate | | N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue | antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ptk 787 | | succinate salt | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vatalanib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyc 682 | | nitrile;
nucleoside analogue;
secondary carboxamide | antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| canertinib | | monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl 5-aminolevulinate hydrochloride | | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl 5-aminolevulinate | | delta-amino acid ester | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tipifarnib | | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aklavinone | | anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| actinodaphine | | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| i-677 | | L-serine derivative;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anonaine | | aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle | antineoplastic agent;
antiplasmodial drug;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-demethyldesoxypodophyllotoxin | | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols | antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salvigenin | | monohydroxyflavone;
trimethoxyflavone | antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deferrioxamine e | | cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle | antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ampelopsin | | dihydromyricetin;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylselenic acid | | one-carbon compound;
organoselenium compound | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetyl aleuritolic acid | | acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| withanolide d | | 20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myricanone | | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cirsilineol | | dihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pannarin | | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methylthiohexyl isothiocyanate | | isothiocyanate;
methyl sulfide | antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pectolinarin | | dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| albicanol | | carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid | antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-o-methylembelin | | enol ether;
monohydroxy-1,4-benzoquinones | antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperphenamate | | benzamides;
carboxylic ester;
L-phenylalanine derivative | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erlotinib | | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erlotinib hydrochloride | | hydrochloride;
terminal acetylenic compound | antineoplastic agent;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| corynoline | | benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol | antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| helioxanthin | | benzodioxoles;
furonaphthodioxole;
lignan | anti-HBV agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| top 53 | | furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-heptadecylresorcinol | | 5-alkylresorcinol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| minquartynoic acid | | acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne | antimalarial;
antineoplastic agent;
antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scutellarin | | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ergolide | | acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone | anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-dihydroxybenzyl alcohol | | aromatic primary alcohol;
phenols | antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysosplenol c | | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
antiviral agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lanperisone | | 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one | antineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (-)-gallocatechin gallate | | catechin;
gallate ester;
polyphenol | antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orantinib | | monocarboxylic acid;
oxindoles;
pyrroles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lapatinib | | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| firocoxib | | butenolide;
cyclopropanes;
enol ether;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-morpholinoanilino)-6-cyclohexylaminopurine | | morpholines;
purines;
secondary amino compound;
tertiary amino compound | adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sorafenib | | (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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lenalidomide | | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lasofoxifene | | aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins | antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 778,123 | | hydrochloride | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 778,123 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | | chloroindole;
organochlorine compound;
sulfonamide | antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diflomotecan | | epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| demecolcine | | alkaloid;
secondary amino compound | antineoplastic agent;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dromostanolone propionate | | 3-oxo-5alpha-steroid;
steroid ester | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vincaleukoblastine | | acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vincristine sulfate | | organic sulfate salt | antineoplastic agent;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anisomycin | | monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| estramustine | | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| withaferin a | | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| noscapine | | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| homoharringtonine | | alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acivicin | | isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| elesclomol | | carbohydrazide;
thiocarbonyl compound | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wortmannin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rocaglamide | | monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound | antileishmanial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anthricin | | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acronine | | acridone derivatives;
alkaloid | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taiwanin c | | benzodioxoles;
furonaphthodioxole;
lignan | antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| o-(chloroacetylcarbamoyl)fumagillol | | carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide | angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bortezomib | | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gant 61 | | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carnosine | | amino acid zwitterion;
dipeptide | anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| puromycin | | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pentostatin | | coformycins | antimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| canaline | | amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hippeastrine | | delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| peonidin | | 5-hydroxyanthocyanidin | antineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucarubinone | | carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol | antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| helveticoside | | 14beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside re | | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside rf | | 12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ferruginol | | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stevioside | | beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decursinol | | cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol | analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naringin | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eugeniin | | beta-D-glucoside;
ellagitannin;
gallate ester;
lactone | anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| knipholone | | aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols | antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gingerol | | beta-hydroxy ketone;
guaiacols | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mucronulatol | | hydroxyisoflavans;
methoxyisoflavan | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| syringaresinol | | syringaresinol | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enkephalin, methionine | | pentapeptide;
peptide zwitterion | analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| devazepide | | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium arsenite | | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| surfactin c | | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kerriamycin b | | angucycline antibiotic | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carubicin | | aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tretinoin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| docosahexaenoate | | docosahexaenoic acid;
omega-3 fatty acid | algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eicosapentaenoic acid | | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mycophenolic acid | | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formycin | | formycin | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neocarzinostatin chromophore | | cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epothilone b | | epothilone;
epoxide | antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-(n-ethylcarboxamide) | | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1)-guanyl-1,7-diaminoheptane | | guanidines;
primary amino compound | antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethylstilbestrol | | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 214662 | | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epothilone a | | epothilone;
epoxide | antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | | 6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound | antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alitretinoin | | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| afimoxifene | | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclarubicin | | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| teniposide | | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| steviol | | bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiazofurin | | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aphidicolin | | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azaserine | | carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid | antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| melphalan | | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prinomastat | | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubitecan | | C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arsenic trioxide | | arsenic oxide | antineoplastic agent;
insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhapontin | | rhaponticin | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoliquiritigenin | | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antofine | | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthohumol | | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vedelianin | | cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 1033 | | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amygdalin | | amygdalin | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trilostane | | 17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile | abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leuprolide acetate | | acetate salt | antineoplastic agent;
gonadotropin releasing hormone agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leuprolide | | oligopeptide | anti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mercaptopurine | | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3',4,5'-tetrahydroxystilbene | | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iFSP1 | | aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes | antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-iodo-6-phenylpyrimidine | | biaryl;
organoiodine compound;
pyrimidines | antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oncrasin-1 | | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| curcumin | | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cct018159 | | benzodioxine;
pyrazoles;
resorcinols | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulindac | | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aurapten | | coumarins;
monoterpenoid | antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xl147 | | aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mcb-613 | | cyclic ketone;
enone;
pyridines | antineoplastic agent;
steroid receptor coactivator stimulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thioguanine anhydrous | | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamoxifen | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stattic | | 1-benzothiophenes;
C-nitro compound;
sulfone | antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| krn 7000 | | glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine | allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 10058-F4 | | olefinic compound;
thiazolidinone | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monastrol | | enoate ester;
ethyl ester;
phenols;
racemate;
thioureas | antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toremifene | | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u 0126 | | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beauvericin | | cyclodepsipeptide | antibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nelarabine | | beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 387032 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manool | | labdane diterpenoid;
tertiary alcohol | antibacterial agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amrubicin | | anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes | antineoplastic agent;
prodrug;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ospemifene | | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tandutinib | | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dasatinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| emetine dihydrochloride | | hydrochloride | anticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bigelovin | | acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zd 6474 | | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 663536 | | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | | benzenes;
thiadiazolidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sc 560 | | aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alsterpaullone | | C-nitro compound;
caprolactams;
organic heterotetracyclic compound | anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginkgetin | | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eupatilin | | dihydroxyflavone;
trimethoxyflavone | anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quercetin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biochanin a | | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vitexin | | C-glycosyl compound;
trihydroxyflavone | antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apigenin | | trihydroxyflavone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| luteolin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| calcitriol | | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| herbacetin | | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hymecromone | | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysoeriol | | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dexmedetomidine | | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bryostatin 1 | | acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quercetin 3-o-glucopyranoside | | beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | | prostaglandins J;
secondary alcohol | antineoplastic agent;
antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| genistein | | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrvinium | | quinolinium ion | anthelminthic drug;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclobenzaprine | | 9,11,13-octadecatrienoic acid | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butein | | chalcones;
polyphenol | antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cucurbitacin i | | cucurbitacin;
tertiary alpha-hydroxy ketone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| daphnoretin | | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| costunolide | | germacranolide;
heterobicyclic compound | anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eupatolide | | gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oleuropein | | beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside | anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| agathisflavone | | biaryl;
biflavonoid;
hydroxyflavone | antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baicalein | | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysin | | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diosmetin | | 3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hinokiflavone | | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hispidulin | | monomethoxyflavone;
trihydroxyflavone | anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gartanin | | polyphenol;
xanthones | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mangostin | | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norathyriol | | polyphenol;
xanthones | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| morin | | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| morusin | | extended flavonoid;
trihydroxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myricetin | | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| robustaflavone | | biflavonoid;
hydroxyflavone;
ring assembly | anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tricetin | | pentahydroxyflavone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wogonin | | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| daidzein | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| astringin | | beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid | antineoplastic agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pterostilbene | | diether;
methoxybenzenes;
stilbenol | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| irilone | | hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle | antineoplastic agent;
immunomodulator;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| caffeic acid phenethyl ester | | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wedelolactone | | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| maytansine | | alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound | antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rottlerin | | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tectochrysin | | monohydroxyflavone;
monomethoxyflavone | antidiarrhoeal drug;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plaunotol | | diterpenoid;
primary alcohol | anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tranilast | | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tocotrienol, beta | | tocotrienol;
vitamin E | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-tocotrienol | | tocotrienol;
vitamin E | antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tocotrienol, delta | | tocotrienol;
vitamin E | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-hydroxychalcone | | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isotretinoin | | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9,11-linoleic acid | | octadeca-9,11-dienoic acid | anti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camostat mesylate | | methanesulfonate salt | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sirolimus | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3',4',7-trihydroxyisoflavone | | 7-hydroxyisoflavones | antineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alvocidib | | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenretinide | | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| geldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-oxoretinol | | cyclic ketone;
enone;
primary allylic alcohol;
retinoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vinorelbine | | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| centaureidin | | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3'-di-o-methylquercetin | | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl caffeate | | alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid | anti-inflammatory agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| andrographolide | | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoginkgetin | | aromatic ether;
biflavonoid | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cudraflavone c | | tetrahydroxyflavone | antibacterial agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neobavaisoflavone | | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neoglycyrol | | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiraeoside | | beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhamnazin | | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oridonin | | cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol | angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 166866 | | biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bosutinib | | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| semaxinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 11248 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| palbociclib | | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitoguazone | | guanidines;
hydrazone | antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| reumycin | | carbonyl compound;
pyrimidotriazine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ergosterol-5,8-peroxide | | 3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols | antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ermanin | | dihydroxyflavone;
dimethoxyflavone | anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulindac sulfide | | aryl sulfide;
monocarboxylic acid;
organofluorine compound | antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 11-7085 | | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| macluraxanthone b | | phenols;
xanthones | anti-HIV agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavokawain b | | chalcones;
dimethoxybenzene;
phenols | anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamsulosin hydrochloride | | hydrochloride | alpha-adrenergic antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| batimastat | | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyceryl behenate | | 1-monoglyceride;
fatty acid ester | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jaceosidin | | dimethoxyflavone;
trihydroxyflavone | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7,3'-trihydroxy-3,4'-dimethoxyflavone | | dimethoxyflavone;
trihydroxyflavone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pederin | | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| artocarpin lectin | | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cisplatin | | diamminedichloroplatinum | antineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bleomycin | | bleomycin | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-aminopropionitrile fumarate (2:1) | | fumarate salt | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-mangostin | | phenols;
xanthones | antineoplastic agent;
plant metabolite;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| demethoxycurcumin | | beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cystothiazole a | | 1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic | antifungal agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lespenefril | | alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol | anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baohuoside i | | glycosyloxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arglabin | | epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one | | enone;
pyridines | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ma-1 | | carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines | antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apratoxin a | | 1,3-thiazoles;
apratoxin | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coronardine | | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ascofuranone | | dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone | angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| columbianadin | | alpha,beta-unsaturated carboxylic ester;
furanocoumarin | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| germacrone | | germacrane sesquiterpenoid;
olefinic compound | androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhizoxin | | 1,3-oxazoles;
epoxide;
macrolide antibiotic | antimitotic;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sibiromycin | | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bryostatin 2 | | bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | antineoplastic agent;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manumycin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thermozymocidin | | alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asukamycin | | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| everolimus | | cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol | anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 13(S)-HODE | | HODE | antineoplastic agent;
human xenobiotic metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ixabepilone | | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| axitinib | | aryl sulfide;
benzamides;
indazoles;
pyridines | antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salvianolic acid B | | 1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol | anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 744832 | | benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sophoraflavanone a | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | antibacterial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tanespimycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manzamine a | | alkaloid;
beta-carbolines;
isoquinolines | animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aureothin | | 4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fostriecin | | 2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| artesunate | | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ru 58668 | | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| soblidotin | | tetrapeptide | antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-elemene | | beta-elemene | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| laulimalide | | carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol | animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jwh-133 | | benzochromene;
dibenzopyran;
organic heterotricyclic compound | analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| belinostat | | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| on 01910 | | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| panobinostat | | cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound | angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bml 210 | | dicarboxylic acid diamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bufalin | | 14beta-hydroxy steroid;
3beta-hydroxy steroid | animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-solanine | | glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative | antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhosin | | D-tryptophan derivative;
hydrazone;
quinoxaline derivative | antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-allylcysteine | | L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxy-9-cis-octadecenoic acid | | 2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid | antihypertensive agent;
antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dolastatin 10 | | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plitidepsin | | didemnin | anticoronaviral agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abiraterone acetate | | pyridines;
sterol ester | antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lenvatinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 716970 | | aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 0325901 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midostaurin | | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jasplakinolide | | cyclodepsipeptide;
phenols | actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| muromonab-cd3 | | alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside m1 | | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cabazitaxel | | tetracyclic diterpenoid | antineoplastic agent;
microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| elisidepsin | | cyclodepsipeptide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 148083 | | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mocetinostat | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tln 4601 | | dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol | antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scio-469 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95a | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cp 724714 | | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-methoxycanthin-6-one | | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| topopyrone c | | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pi103 | | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride | | hydrochloride;
iminium salt | antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fty 720p | | monoalkyl phosphate;
primary alcohol;
primary amino compound | antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hmr 1275 | | hydrochloride | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zm 447439 | | aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hki 272 | | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside f2 | | 12beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ginsenoside rg3 | | ginsenoside;
glycoside;
tetracyclic triterpenoid | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| es-285 | | amino alcohol;
sphingoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nidulalin a | | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hypothemycin | | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rucaparib | | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jte 607 | | hydrochloride | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pasireotide | | homodetic cyclic peptide;
peptide hormone | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| npi 2358 | | 2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubraxanthone | | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| NNC 55-0396 (free base) | | benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr 11302 | | alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes | antineoplastic agent;
AP-1 antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch 51344 | | aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | | 11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid | anti-inflammatory agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| osu 03012 | | antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly2090314 | | diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerberin | | acetate ester;
cardenolide glycoside;
monosaccharide derivative | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pateamine a | | 1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound | antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-hydroxytaxol | | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| masitinib | | 1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines | antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avenanthramide b | | amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
phytoalexin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ageladine a | | alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly-2157299 | | aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines | antineoplastic agent;
TGFbeta receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pazopanib | | aminopyrimidine;
indazoles;
sulfonamide | angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 6244 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd2858 | | aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide | antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bibw 2992 | | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bl1521 | | enamide;
hydroxamic acid;
monocarboxylic acid amide | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jte 013 | | chloropyridine;
pyrazolopyridine | anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| holomycin | | acetamides;
dithiolopyrrolone antibiotic | antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| binimetinib | | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aee 788 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| saracatinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| crenolanib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trilobacin | | butenolide;
polyketide;
triol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manassantin b | | benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pha 665752 | | dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide | antineoplastic agent;
c-Met tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PB28 | | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95b | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 901464 | | acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vinflunine | | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| homocamptothecin | | epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | | aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jaspamide b | | cyclodepsipeptide;
organobromine compound | animal metabolite;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ossamycin | | cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nigranoic acid | | dicarboxylic acid;
tetracyclic triterpenoid | antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| esculeoside a | | azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azadirone | | acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid | antineoplastic agent;
antiplasmodial drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iejimalide b | | ether;
formamides;
macrolide | antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| migrastatin | | ether;
macrolide antibiotic;
piperidones;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cembra-2,7,11-triene-4,6-diol | | cembrane diterpenoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | | polyphenol;
xanthones | anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| regorafenib | | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 7867 | | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ym 155 | | organic bromide salt | antineoplastic agent;
apoptosis inducer;
survivin suppressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bielschowskysin | | acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound | antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erastin | | aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide | antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt-737 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brivanib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rx-3117 | | organofluorine compound;
primary allylic alcohol;
triol | antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ascochlorin | | cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid | angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiculoic acid a | | carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | | D-valine derivative;
hydroxamic acid | antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 7519 | | dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ym 216391 | | 1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marizomib | | beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide | antineoplastic agent;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| er-086526 | | cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound | antineoplastic agent;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| obolactone | | 2-pyranones;
4-pyranones | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| episilvestrol | | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt 869 | | aromatic amine;
indazoles;
phenylureas | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152 | | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 00299804 | | enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ki11502 | | aromatic ether;
benzamides;
quinolines;
thioureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carfilzomib | | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | | aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| idelalisib | | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| crizotinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zstk474 | | benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trametinib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lyoniresinol | | dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GDC-0879 | | indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines | antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physalin b | | enone;
lactone;
organic heteroheptacyclic compound;
physalin | antimalarial;
antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amrubicinol | | diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes | antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silvestrol | | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 13387 | | benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide | antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytotrienin a | | cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dactolisib | | imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bgt226 | | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-methoxykurarinone | | 4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gedunin | | acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid | antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascin | | alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide | antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascorubrin | | azaphilone;
enone;
gamma-lactone;
polyketide;
triketone | anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | | alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound | anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SYC-435 | | benzenes;
cyclic hydroxamic acid;
pyridone | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ligstroside | | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mogrol | | hydroxy seco-steroid;
tetracyclic triterpenoid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| simalikalactone D | | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol | antimalarial;
antineoplastic agent;
antiviral agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-5-pentylbenzene-1,3-diol | | resorcinols | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mdv 3100 | | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152-hqpa | | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adonixanthin | | carotenone;
cyclic ketone;
secondary alcohol | algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| schweinfurthin g | | cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abarelix | | polypeptide | antineoplastic agent;
hormone antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| forapin | | peptidyl amide;
polypeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gastrin 17 | | gastrin | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdc-0973 | | aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| buparlisib | | aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubocapsanolide a | | 4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide | antineoplastic agent;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro5126766 | | aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pevonedistat | | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tg101209 | | N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk690693 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cnf 2024 | | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ku 0063794 | | benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| respirantin | | benzamides;
cyclodepsipeptide;
formamides;
phenols | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sm 164 | | benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| berkeleydione | | beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lucidenic acid n | | cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid | antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromophycolide a | | diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol | anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nnc 55-0396 | | hydrochloride | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meclofenamate sodium anhydrous | | hydrate | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brequinar sodium | | organic sodium salt | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| borrelidin | | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olaparib | | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plx 4720 | | aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lcl161 | | 1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspergillide b | | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tenovin-6 | | monocarboxylic acid amide;
tertiary amino compound;
thioureas | antineoplastic agent;
p53 activator;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lde225 | | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdc 0449 | | benzamides;
monochlorobenzenes;
pyridines;
sulfone | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 754807 | | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marinopyrrole a | | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delanzomib | | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| grassypeptolide | | cyclodepsipeptide;
macrocycle | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pci 32765 | | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ponatinib | | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiruchostatin b | | macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin | antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AMG-208 | | aromatic ether;
quinolines;
triazolopyridazine | antineoplastic agent;
c-Met tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch772984 | | biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide | analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| papuamide b | | cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol | anti-HIV-1 agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antroquinonol d | | enol ether;
enone;
secondary alcohol | antineoplastic agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quizartinib | | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxyspirotryprostatin b | | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PP121 | | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niraparib | | benzenes;
indazoles;
piperidines;
primary carboxamide | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niraparib | | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| navitoclax | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lucitanib | | aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines | antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide c | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cetrorelix | | oligopeptide | antineoplastic agent;
GnRH antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| histrelin | | oligopeptide | antineoplastic agent;
gonadotropin releasing hormone agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cabozantinib | | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salvileucalin b | | bridged compound;
diterpenoid;
furans;
gamma-lactone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| incb-018424 | | nitrile;
pyrazoles;
pyrrolopyrimidine | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| poziotinib | | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asp3026 | | aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entrectinib | | benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pexidartinib | | aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| TAK-580 | | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glasdegib | | benzimidazoles;
nitrile;
phenylureas;
piperidines | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk 2126458 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ixazomib | | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cx 5461 | | diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plx4032 | | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GDC-0623 | | hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| INDY | | benzothiazoles;
enone;
organic hydroxy compound | antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-dihydroxyflavanone | | dihydroxyflavanone | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dabrafenib | | 1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cblc137 | | aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dihydro-3beta-O-sulfate withaferin A | | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide | antineoplastic agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leachianone a | | 4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiopental sodium | | organochlorine compound;
piperazines;
pyrimidines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| EG00229 | | benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes | angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jadomycin b | | glycoside;
jadomycin;
organic heteropentacyclic compound | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tak-632 | | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide a | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| englerin a | | cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lrrk2-in1 | | aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jq1 compound | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML-210 | | C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide | antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eurycomanone | | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol | antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gilteritinib | | aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alectinib | | aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML240 | | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| torin 1 | | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt-199 | | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pracinostat | | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physalin f | | enone;
epoxy steroid;
lactone;
physalin | antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xl765 | | aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DMH1 | | aromatic ether;
pyrazolopyrimidine;
quinolines | antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| torin 2 | | aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline | antineoplastic agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oligomycin a | | antibiotic antifungal agent;
diketone;
oligomycin;
pentol | antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | | aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas | antineoplastic agent;
fibroblast growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | | 11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | | 11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid | antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chir 98014 | | aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk2656157 | | biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | | acetamides;
hydroxyindoles;
tryptamines | antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coumermycin | | aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lfm a13 | | aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AZD3463 | | aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| calicheamicin gamma(1)i | | calicheamicin;
enediyne antibiotic;
organoiodine compound | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperfuranone | | 2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ceritinib | | aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pelabresib | | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MK-8353 | | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk2879552 | | benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ssr128129e | | organic sodium salt | antineoplastic agent;
fibroblast growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspergillide a | | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| capilliposide b | | alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brasilicardin a | | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| surfactin A | | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acp-196 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk343 | | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myriaporone 3 | | beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GSK1059615 | | pyridines;
quinolines;
thiazolidinone | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| osimertinib | | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ivosidenib | | cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phleomycin d1 | | bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly3009120 | | aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf-06463922 | | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| as 1842856 | | organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound | anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physalin d | | 5alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin | antimalarial;
antimycobacterial drug;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acarbose | | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr9243 | | bromobenzenes;
sulfonamide;
sulfone | antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| CCT251545 | | azaspiro compound;
chloropyridine;
pyrazoles | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ldc4297 | | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hg-9-91-01 | | aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound | antineoplastic agent;
salt-inducible kinase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cigb-300 | | heterodetic cyclic peptide;
polypeptide | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide d | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bassianolide | | cyclodepsipeptide;
cyclooctadepsipeptide | antineoplastic agent;
fungal metabolite;
insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enasidenib | | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| BDA-366 | | anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ebc-46 | | diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester | antineoplastic agent;
plant metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| THZ531 | | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| can 508 | | aromatic amine;
monoazo compound;
phenols;
pyrazoles | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| levoleucovorin | | 5-formyltetrahydrofolic acid | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rifampin | | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azaguanine | | nucleobase analogue;
triazolopyrimidines | antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pemetrexed | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tirapazamine | | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrazofurin | | C-glycosyl compound;
pyrazoles | antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MMP-9-IN-1 | | aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrazinocurcumin | | aromatic ether;
olefinic compound;
polyphenol;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-arabinofuranosylguanine | | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulomycin | | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| undecylprodigiosin | | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ver 52296 | | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | | hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| XL413 | | benzofuropyrimidine;
organochlorine compound;
pyrrolidines | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pp242 | | aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine | antineoplastic agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marineosin a | | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marineosin b | | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ARS-1620 | | quinazolines | antineoplastic agent;
antiviral agent;
inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sotorasib | | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niacinamide | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| caffeic acid | | catechols;
hydroxycinnamic acid | antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbamazepine | | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valproic acid | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phenylbutyric acid, sodium salt | | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trichostatin a | | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| CHIC-35 | | aromatic compound;
organic heterotricyclic compound;
organochlorine compound;
primary carboxamide | EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sirtinol | | aldimine;
benzamides;
naphthols | anti-inflammatory agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium butyrate | | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3',4'-dihydroxyaurone | | catechols;
hydroxyaurone | EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| depudecin | | polyketide | EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubastatin a | | hydroxamic acid;
pyridoindole;
tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| quinacrine | | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| aminocaproic acid | | amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid | antifibrinolytic drug;
hematologic agent;
metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 1-(3-chlorophenyl)piperazine | | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| enprofylline | | oxopurine | anti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tacrine | | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acebutolol | | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acetaminophen | | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acetazolamide | | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| albuterol | | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alfuzosin | | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alosetron | | imidazoles;
pyridoindole | antiemetic;
gastrointestinal drug;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alprazolam | | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alprenolol | | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amantadine | | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diatrizoic acid | | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| theophylline | | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amiodarone | | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amitriptyline | | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amlodipine | | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amsacrine | | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| antipyrine | | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| aspirin | | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| atenolol | | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| azelastine | | monochlorobenzenes;
phthalazines;
tertiary amino compound | anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| betaxolol | | propanolamine | antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bevantolol | | propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| biperiden | | piperidines;
tertiary alcohol;
tertiary amino compound | antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bisoprolol | | secondary alcohol;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bromazepam | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bromopride | | benzamides | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| brotizolam | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| buflomedil | | aromatic ketone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bumetanide | | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bunazosin | | quinazolines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bupivacaine | | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| busulfan | | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| caffeine | | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| verapamil | | aromatic ether;
nitrile;
polyether;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metrizoate | | monocarboxylic acid | radioopaque medium | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| carmustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| carvedilol | | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorambucil | | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlordiazepoxide | | benzodiazepine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chloroquine | | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorpheniramine | | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorpromazine | | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorpropamide | | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorthalidone | | isoindoles;
monochlorobenzenes;
sulfonamide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ci 994 | | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cifenline | | diarylmethane | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cimetidine | | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ciprofloxacin | | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| citalopram | | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clomipramine | | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clonazepam | | 1,4-benzodiazepinone;
monochlorobenzenes | anticonvulsant;
anxiolytic drug;
GABA modulator | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clonidine | | clonidine;
imidazoline | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlorazepate | | 1,4-benzodiazepinone | anticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| dapsone | | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| desipramine | | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nordazepam | | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amphetamine | | primary amine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diazepam | | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diazoxide | | benzothiadiazine;
organochlorine compound;
sulfone | antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diclofenac | | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diflunisal | | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diphenhydramine | | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| disopyramide | | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| valproic acid | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| domperidone | | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| doxapram | | morpholines;
pyrrolidin-2-ones | central nervous system stimulant | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| doxepin | | dibenzooxepine;
tertiary amino compound | antidepressant | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dyphylline | | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| enoxacin | | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ethacrynic acid | | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| etilefrine | | phenols | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| felodipine | | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| berotek | | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fenspiride | | azaspiro compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fentanyl | | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| flecainide | | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fleroxacin | | difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines | antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fluconazole | | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| flucytosine | | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| flumazenil | | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| flunitrazepam | | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fluorescite | | benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye | fluorescent dye;
radioopaque medium | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fluorouracil | | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| foscarnet | | carboxylic acid;
one-carbon compound;
phosphonic acids | antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| furosemide | | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gabapentin | | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| glimepiride | | sulfonamide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| glipizide | | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| glyburide | | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| granisetron | | aromatic amide;
indazoles | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| guanfacine | | acetamides | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| haloperidol | | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hexobarbital | | barbiturates | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydralazine | | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydroflumethiazide | | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydroxychloroquine | | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydroxyurea | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hypericin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ibuprofen | | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lidocaine | | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ifosfamide | | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| imipramine | | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amrinone | | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indomethacin | | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| iohexol | | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| iopromide | | dicarboxylic acid diamide;
organoiodine compound | environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| iothalamic acid | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| avapro | | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isoniazid | | carbohydrazide | antitubercular agent;
drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isoproterenol | | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isradipine | | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| itraconazole | | piperazines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ketamine | | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ketanserin | | aromatic ketone;
organofluorine compound;
piperidines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ketoprofen | | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ketorolac | | amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| labetalol | | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lansoprazole | | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| letrozole | | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lorazepam | | benzodiazepine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| losartan | | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2003 | 2003 | 21.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| maprotiline | | anthracenes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mebendazole | | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| meperidine | | ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound | antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mepivacaine | | piperidinecarboxamide | drug allergen;
local anaesthetic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| meprobamate | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mesalamine | | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metformin | | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methadone | | benzenes;
diarylmethane;
ketone;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methapyrilene | | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methylphenidate | | beta-amino acid ester;
methyl ester;
piperidines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metoclopramide | | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metolazone | | organochlorine compound;
quinazolines;
sulfonamide | antihypertensive agent;
diuretic;
ion transport inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metoprolol | | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic | 2008 | 2012 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| metronidazole | | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mexiletine | | aromatic ether;
primary amino compound | anti-arrhythmia drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| midazolam | | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| milrinone | | bipyridines;
nitrile;
pyridone | cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mirtazapine | | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mitoxantrone | | dihydroxyanthraquinone | analgesic;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| moclobemide | | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| entinostat | | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2003 | 2010 | 17.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
| acecainide | | acetamides;
benzamides | anti-arrhythmia drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| naratriptan | | heteroarylpiperidine;
sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nefazodone | | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nefopam | | benzoxazocine;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nevirapine | | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nicardipine | | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nifedipine | | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nimodipine | | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nisoldipine | | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nitrazepam | | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nitrendipine | | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nizatidine | | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nomifensine | | isoquinolines | dopamine uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nortriptyline | | organic tricyclic compound;
secondary amine | adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ofloxacin | | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| omeprazole | | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ondansetron | | carbazoles | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxazepam | | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxiracetam | | organonitrogen compound;
organooxygen compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxybutynin | | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pamidronate | | phosphonoacetic acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pantoprazole | | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| papaverine | | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pentamidine | | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pentobarbital | | barbiturates | GABAA receptor agonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pentoxifylline | | oxopurine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| perphenazine | | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| phenacetin | | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| phenobarbital | | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| moxonidine | | organohalogen compound;
pyrimidines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pimobendan | | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pindolol | | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| piretanide | | aromatic ether | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| prazosin | | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| prilocaine | | amino acid amide;
monocarboxylic acid amide | anticonvulsant;
local anaesthetic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| primaquine | | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| probenecid | | benzoic acids;
sulfonamide | uricosuric drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| procainamide | | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| prochlorperazine | | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| procyclidine | | pyrrolidines;
tertiary alcohol | antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| promazine | | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| promethazine | | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| propafenone | | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| propofol | | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| propranolol | | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pyridostigmine | | pyridinium ion | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pyrimethamine | | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pyroxamide | | aromatic amide | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rabeprazole | | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ranitidine | | aralkylamine | | 2008 | 2012 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| risperidone | | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rizatriptan | | tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| suberoyl bis-hydroxamic acid | | hydroxamic acid | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| scriptaid | | isoquinolines | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sulfadiazine | | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| risedronic acid | | pyridines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sotalol | | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fenofibrate | | benzochromenone;
delta-lactone;
naphtho-alpha-pyrone | platelet aggregation inhibitor;
Sir2 inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| imatinib | | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vorinostat | | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2003 | 2017 | 13.5 | low | 0 | 0 | 0 | 6 | 7 | 0 |
| sulfamethoxazole | | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sulfinpyrazone | | pyrazolidines;
sulfoxide | uricosuric drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sulfisoxazole | | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sumatriptan | | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| suprofen | | aromatic ketone;
monocarboxylic acid;
thiophenes | antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| suramin | | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gatifloxacin | | N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| temozolomide | | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| terazosin | | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| terbutaline | | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| thalidomide | | phthalimides;
piperidones | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| thiotepa | | aziridines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tinidazole | | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tizanidine | | benzothiadiazole;
imidazoles | alpha-adrenergic agonist;
muscle relaxant | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tolbutamide | | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ultram | | aromatic ether;
tertiary alcohol;
tertiary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tranexamic acid | | amino acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trazodone | | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| triamterene | | pteridines | diuretic;
sodium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| triazolam | | triazolobenzodiazepine | sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trimethoprim | | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trimetrexate | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trimipramine | | dibenzoazepine;
tertiary amino compound | antidepressant;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| urapidil | | piperazines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| venlafaxine | | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| viloxazine | | aromatic ether | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| zaleplon | | nitrile;
pyrazolopyrimidine | anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zolpidem | | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zopiclone | | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| prednisolone | | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cephaloridine | | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| prednisone | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| penicillin g | | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chloramphenicol | | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vincristine | | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ethinyl estradiol | | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| apomorphine | | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cephalothin | | azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes | antibacterial drug;
antimicrobial agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| kanamycin a | | kanamycins | bacterial metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| levodopa | | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methicillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| colchicine | | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxacillin | | penicillin | antibacterial agent;
antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ampicillin | | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| triamcinolone acetonide | | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| phencyclidine | | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dichloroacetic acid | | monocarboxylic acid;
organochlorine compound | astringent;
marine metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methylprednisolone | | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| penicillin v | | penicillin allergen;
penicillin | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isosorbide dinitrate | | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ergotamine | | peptide ergot alkaloid | alpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| neostigmine bromide | | bromide salt | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nafcillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methohexital | | acetylenic compound;
barbiturates | drug allergen;
intravenous anaesthetic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pirinitramide | | nitrile | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| edrophonium bromide | | | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| azacitidine | | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| galantamine | | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| betamethasone | | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dextropropoxyphene | | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ketobemidone | | piperidines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlormethiazole | | thiazoles | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methamphetamine | | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lithium carbonate | | carbonate salt;
lithium salt | antimanic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acetylcysteine | | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| erythromycin | | cyclic ketone;
erythromycin | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| levonorgestrel | | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lormetazepam | | 1,4-benzodiazepinone;
organochlorine compound | sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vinblastine | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ethambutol | | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vancomycin | | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metylperon | | aromatic ketone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| spectinomycin | | cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dronabinol | | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| benperidol | | aromatic ketone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlordesmethyldiazepam | | benzodiazepine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| stavudine | | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| doxifluridine | | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dicloxacillin | | dichlorobenzene;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| streptomycin | | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cladribine | | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| carbenicillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| floxacillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| beclomethasone dipropionate | | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester | anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| olsalazine | | azobenzenes;
dicarboxylic acid | non-steroidal anti-inflammatory drug;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| terodiline | | diarylmethane | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 1-(4-carboxyphenyl)-3,3-dimethyltriazene | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zalcitabine | | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| metocurine iodide | | aromatic ether | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| apazone | | benzotriazines | non-steroidal anti-inflammatory drug;
uricosuric drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| selegiline | | selegiline;
terminal acetylenic compound | geroprotector | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cephalexin | | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isosorbide-5-mononitrate | | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cephapirin | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pregnanolone | | 3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid | human metabolite;
intravenous anaesthetic;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| du-21220 | | benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ribostamycin | | amino cyclitol glycoside;
aminoglycoside antibiotic | antibacterial drug;
antimicrobial agent;
metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefazolin | | beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amoxicillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| timolol | | timolol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indoramin | | tryptamines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| toloxatone | | oxazolidinone;
primary alcohol;
toluenes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zidovudine | | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sisomicin | | amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amdinocillin | | penicillin | antibacterial drug;
antiinfective agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tobramycin | | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| paclitaxel | | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| etoposide | | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ticarcillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trimazosin | | N-arylpiperazine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ribavirin | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| adinazolam | | triazolobenzodiazepine | anticonvulsant;
antidepressant;
anxiolytic drug;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| amikacin | | alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide | antibacterial drug;
antimicrobial agent;
nephrotoxin | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tolamolol | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cephradine | | beta-lactam antibiotic allergen;
cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methyldopa | | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tocainide | | monocarboxylic acid amide | anti-arrhythmia drug;
local anaesthetic;
sodium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sulbenicillin | | penicillin | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sq-11725 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diltiazem | | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vecuronium bromide | | organic bromide salt;
quaternary ammonium salt | muscle relaxant;
neuromuscular agent;
nicotinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| meptazinol | | azepanes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sufentanil | | anilide;
ether;
piperidines;
thiophenes | anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| torsemide | | aminopyridine;
N-sulfonylurea;
secondary amino compound | antihypertensive agent;
loop diuretic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| medroxalol | | salicylamides | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| epirubicin | | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefmetazole | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lorcainide | | acetamides | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| idarubicin | | anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ceforanide | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| piperacillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| paroxetine | | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| captopril | | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefoperazone | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| atracurium | | diester;
quaternary ammonium ion | muscle relaxant;
nicotinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| moxalactam | | cephalosporin;
oxacephem | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| endralazine | | benzamides | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefadroxil anhydrous | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| encainide | | benzamides;
piperidines | anti-arrhythmia drug;
sodium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pefloxacin | | fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alfentanil | | monocarboxylic acid amide;
piperidines | central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefotetan | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| recainam | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lovastatin | | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| flupirtine | | aminopyridine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| enoximone | | aromatic ketone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| idazoxan | | benzodioxine;
imidazolines | alpha-adrenergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| remoxipride | | dimethoxybenzene | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pravastatin | | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bambuterol | | carbamate ester;
phenylethanolamines | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| atomoxetine | | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trospectomycin | | dioxanes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| finasteride | | 3-oxo steroid;
aza-steroid;
delta-lactam | androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sematilide | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| esmolol | | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clinafloxacin | | quinolines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| adefovir | | 6-aminopurines;
ether;
phosphonic acids | antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| loxiglumide | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sparfloxacin | | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cidofovir anhydrous | | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tiagabine | | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mibefradil | | tetralins | T-type calcium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| topotecan | | pyranoindolizinoquinoline | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor | 2008 | 2012 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| bromfenac | | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gemcitabine | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ibutilide | | benzenes;
organic amino compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| aripiprazole | | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| remifentanil | | alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester | intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lamivudine | | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| irinotecan | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| valsartan | | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ibandronic acid | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ziprasidone | | 1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines | antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zanamivir | | guanidines | antiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zolmitriptan | | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tirofiban | | L-tyrosine derivative;
piperidines;
sulfonamide | anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cisatracurium | | diester;
quaternary ammonium ion | muscle relaxant;
nicotinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fosinoprilat | | L-proline derivative;
phosphinic acids | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trovafloxacin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefprozil | | cephalosporin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| iopamidol | | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| imipramine n-oxide | | dibenzooxazepine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dexloxiglumide | | glutamic acid derivative | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| intoplicine | | pyridoindole | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| repaglinide | | piperidines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| telmisartan | | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dexfenfluramine | | fenfluramine | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2-methoxyestradiol | | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ethinyl estradiol-17-sulfate | | | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| ethinylestradiol-3-sulfate | | 17beta-hydroxy steroid;
steroid sulfate | antineoplastic agent;
estrogen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefcanel | | | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| zoledronic acid | | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| epristeride | | steroid acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| talinolol | | ureas | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| denaverine | | diarylmethane | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| diprafenone | | aromatic compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nebivolol | | chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| uk 68798 | | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ljc 10627 | | carbapenems;
organic sulfide;
pyrazolotriazole | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dexrazoxane | | razoxane | antineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| voriconazole | | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| betamipron | | organonitrogen compound;
organooxygen compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bufuralol | | benzofurans | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| panipenem | | organic molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| perindoprilat | | dicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound | antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 7-hydroxystaurosporine | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methotrimeprazine | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 9-aminocamptothecin | | pyranoindolizinoquinoline | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sch 34343 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| squalamine | | bile acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| atovaquone | | hydroxy-1,2-naphthoquinone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rivastigmine | | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| frovatriptan | | carbazoles | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| eletriptan | | indoles;
N-alkylpyrrolidine;
sulfone | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rosiglitazone | | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clarithromycin | | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nicotine | | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mci 9038 | | peptide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| imipenem, anhydrous | | beta-lactam antibiotic allergen;
carbapenems;
zwitterion | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bosentan anhydrous | | primary alcohol;
pyrimidines;
sulfonamide | antihypertensive agent;
endothelin receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| asulacrine | | acridines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydroxycotinine | | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| quinaprilat | | dicarboxylic acid;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2-hydroxyimipramine | | dibenzoazepine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ecteinascidin 743 | | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| almotriptan | | indoles;
sulfonamide;
tertiary amine | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mk 0663 | | bipyridines;
organochlorine compound;
sulfone | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gefitinib | | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methotrexate | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tamsulosin | | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sulbactam | | penicillanic acids | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dilevalol | | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| docetaxel | | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| irofulven | | cyclohexenones | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ym 872 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| levofloxacin | | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ertapenem | | carbapenemcarboxylic acid;
pyrrolidinecarboxamide | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dx 8951 | | pyranoindolizinoquinoline | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cilomilast | | methoxybenzenes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| conivaptan | | benzazepine | aquaretic;
vasopressin receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tezosentan | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sabarubicin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| moxifloxacin | | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clevidipine | | dihydropyridine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| solifenacin | | isoquinolines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| xamoterol | | morpholines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| abanoquil | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| anidulafungin | | antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| atropine | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ropivacaine | | piperidinecarboxamide;
ropivacaine | local anaesthetic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| melagatran | | azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tesaglitazar | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bms204352 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fosfluconazole | | conazole antifungal drug;
triazole antifungal drug;
triazoles | prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cp 101,606 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nsc-89199 | | carbamate ester;
organochlorine compound;
steroid phosphate | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| phenethicillin | | penicillin allergen;
penicillin | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acivicin | | isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bortezomib | | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| quinidine | | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| meropenem | | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefoxitin | | beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| digitoxin | | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| saquinavir | | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pancuronium | | acetate ester;
steroid ester | cholinergic antagonist;
muscle relaxant;
nicotinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rocuronium | | 3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound | drug allergen;
muscle relaxant;
neuromuscular agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| abacavir | | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| netilmicin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| miglitol | | piperidines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| linezolid | | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tolterodine | | tertiary amine | antispasmodic drug;
muscarinic antagonist;
muscle relaxant | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| darifenacin | | 1-benzofurans;
monocarboxylic acid amide;
pyrrolidines | antispasmodic drug;
muscarinic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fluticasone propionate | | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester | adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acarbose | | amino cyclitol;
glycoside | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| trichostatin a | | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector | 2003 | 2015 | 14.7 | low | 0 | 0 | 0 | 4 | 3 | 0 |
| tacrolimus | | macrolide lactam | bacterial metabolite;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cerivastatin | | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rosuvastatin | | dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide | anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cocaine | | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clindamycin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fosfomycin | | epoxide;
phosphonic acids | antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zithromax | | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bms 214662 | | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| eptifibatide | | homodetic cyclic peptide;
macrocycle;
organic disulfide | anticoagulant;
platelet aggregation inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gs 4071 | | acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| decitabine | | 2'-deoxyribonucleoside | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sm 8668 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| teniposide | | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| troxacitabine | | carbohydrate derivative;
nucleobase-containing molecular entity | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefamandole | | cephalosporin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tiazofurin | | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| melphalan | | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sitafloxacin | | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tenofovir | | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dibekacin | | kanamycins | antibacterial agent;
protein synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| micafungin | | antibiotic antifungal drug;
echinocandin | antiinfective agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mezlocillin | | penicillin allergen;
penicillin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tropisetron | | indolyl carboxylic acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| leuprolide | | oligopeptide | anti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| fludarabine | | purine nucleoside | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| propylthiouracil | | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| etomidate | | ethyl ester;
imidazoles | intravenous anaesthetic;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mercaptopurine | | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cotinine | | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methimazole | | 1,3-dihydroimidazole-2-thiones | antithyroid drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| drotaverin | | isoquinolines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| digoxin | | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cancidas | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lincomycin | | carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound | antimicrobial agent;
bacterial metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| thiopental | | barbiturates | anticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hmr 3647 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nelarabine | | beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor;
prodrug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | | aromatic ether | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dolasetron | | indolyl carboxylic acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| or 1259 | | hydrazone;
nitrile;
pyridazinone | anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gestodene | | steroid | estrogen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| quinine | | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isepamicin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ifetroban | | benzenes;
monocarboxylic acid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lamifiban | | N-acylglycine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| telavancin | | glycopeptide | antibacterial drug;
antimicrobial agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sitagliptin | | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tolcapone | | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sodium butyrate | | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector | 2003 | 2003 | 21.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| quercetin | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clavulanic acid | | oxapenam | antibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| pulmicort | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| eprosartan | | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| montelukast | | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mivacurium | | isoquinolines | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| entacapone | | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| paricalcitol | | hydroxy seco-steroid;
seco-cholestane | antiparathyroid drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sdz psc 833 | | homodetic cyclic peptide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indocyanine green | | 1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| codeine | | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cyclosporine | | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hydromorphone | | morphinane alkaloid;
organic heteropentacyclic compound | mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nalmefene | | morphinane alkaloid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| naloxone | | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxycodone | | organic heteropentacyclic compound;
semisynthetic derivative | antitussive;
mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alvocidib | | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| geldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| morphine | | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cicaprost | | monoterpenoid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dexmedetomidine | | medetomidine | alpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| iloprost | | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nalbuphine | | organic heteropentacyclic compound | mu-opioid receptor antagonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nateglinide | | phenylalanine derivative | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vinorelbine | | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | | dihydroxy monocarboxylic acid;
indoles;
organofluorine compound | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| naltrexone | | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| morphine-6-glucuronide | | morphinane alkaloid | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| butorphanol | | morphinane alkaloid | antitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefodizime | | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methylnaltrexone | | phenanthrenes | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefixime | | cephalosporin | antibacterial drug;
drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| lisinopril | | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indinavir sulfate | | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| enalaprilat anhydrous | | dicarboxylic acid;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefuroxime | | 3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether | drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ceftriaxone | | 1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefepime | | cephalosporin;
oxime O-ether | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hr 810 | | cephalosporin;
cyclopentapyridine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ceftazidime | | cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefetamet | | cephalosporin | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| famotidine | | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cefotaxime | | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| aztreonam | | beta-lactam antibiotic allergen;
monobactam | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| monorden | | cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols | antifungal agent;
metabolite;
tyrosine kinase inhibitor | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| ginkgolide b | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| palonosetron | | azabicycloalkane;
delta-lactam;
organic heterotricyclic compound | antiemetic;
serotonergic antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| psammaplin a | | | | 2003 | 2014 | 15.5 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| cefatrizine | | amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles | antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| eniporide | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| cilastatin | | carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| laq824 | | | | 2003 | 2010 | 17.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
| ixabepilone | | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| azlocillin | | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| verlukast | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ceftizoxime | | cephalosporin | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| carumonam | | monobactam | antibacterial drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| nitrofurantoin | | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tubacin | | 1,3-oxazoles | | 2003 | 2010 | 17.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
| eritoran | | lipid As | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dantrolene | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| artesunate | | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dexniguldipine | | diarylmethane | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| napsagatran | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| temsirolimus | | macrolide lactam | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| (3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | | oligopeptide | | 2003 | 2014 | 14.6 | medium | 0 | 0 | 0 | 3 | 2 | 0 |
| bms188797 | | | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| belinostat | | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2010 | 2017 | 10.5 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| panobinostat | | cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound | angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2010 | 2017 | 10.5 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| azimilide | | imidazolidine-2,4-dione | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| givinostat | | carbamate ester | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tomopenem | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bb-83698 | | | | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| mocetinostat | | 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 | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| zotarolimus | | lactam;
macrolide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| gentamicin sulfate | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| bn 52020 | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| spiruchostatin a | | | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| vindesine | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| scopolamine hydrobromide | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hc toxin | | | | 2010 | 2010 | 14.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| bisaramil | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| azumamide e | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| teicoplanin | | | | 2008 | 2008 | 16.0 | high | 0 | 0 | 0 | 1 | 0 | 0 |
| ly-146032 | | heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide | antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dalbavancin | | carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative | antibacterial drug;
antimicrobial agent | 2008 | 2008 | 16.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| largazole | | | | 2011 | 2015 | 10.7 | low | 0 | 0 | 0 | 0 | 3 | 0 |
| cetrorelix | | oligopeptide | antineoplastic agent;
GnRH antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| jq1 compound | | 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 | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| gsk1210151a | | imidazoquinoline | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| i-bet726 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| tetracycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| chlortetracycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| oxytetracycline, anhydrous | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| minocycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| roquinimex | | aromatic amide | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mobic | | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| mobiflex | | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isoxicam | | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| warfarin | | benzenes;
hydroxycoumarin;
methyl ketone | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| demeclocycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rolitetracycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tigecycline | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| acyclovir | | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rifampin | | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| clozapine | | 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 | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dacarbazine | | dacarbazine | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| didanosine | | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ganciclovir | | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| sildenafil | | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| penciclovir | | 2-aminopurines;
propane-1,3-diols | antiviral drug | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vardenafil | | imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| allopurinol | | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| leucovorin | | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tegaserod | | carboxamidine;
guanidines;
hydrazines;
indoles | gastrointestinal drug;
serotonergic agonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| tirapazamine | | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| aprepitant | | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ceftobiprole | | cephalosporin;
thiadiazoles | antimicrobial agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rifabutin | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| rvx 208 | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |