Page last updated: 2024-08-02 20:55:21
hcv 796
Description
HCV 796: inhibits HCV RdRp; structure in first source [MeSH]
Cross-References
| ID Source | ID |
|---|
| PubMed CID | 11561383 |
| CHEMBL ID | 1092581 |
| SCHEMBL ID | 2513096 |
| MeSH ID | M0534205 |
Synonyms (43)
| Synonym |
|---|
| HY-14775 |
| hcv-796 |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-n-methyl-benzofuran-3-carboxamide |
| 5-cyclopropyl-2-(4-fluoro-phenyl)-6-[(2-hydroxy-ethyl)-methanesulfonyl-amino]-benzofuran-3-carboxylic acid methylamide |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide |
| 79z , |
| DB07238 |
| nesbuvir |
| 691852-58-1 |
| D08951 |
| nesbuvir (usan) |
| CHEMBL1092581 |
| hcv 796 |
| hcv796 |
| nesbuvir [usan:inn] |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-n-methyl-1-benzofuran-3-carboxamide |
| unii-eyk815w3z8 |
| eyk815w3z8 , |
| 3-benzofurancarboxamide, 5-cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-n-methyl- |
| NCGC00346463-01 |
| CS-0689 |
| nesbuvir [usan] |
| nesbuvir [inn] |
| WTDWVLJJJOTABN-UHFFFAOYSA-N |
| 3FQK |
| 3FQL |
| DTXSID90219225 |
| SCHEMBL2513096 |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-[n-(2-hydroxyethyl)methanesulfonamido]-n-methyl-1-benzofuran-3-carboxamide |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-3-benzofurancarboxamide |
| NCGC00346463-02 |
| FT-0750799 |
| EX-A2110 |
| nesbuvir; hcv-796 |
| Q27096463 |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-(n-(2-hydroxyethyl)methylsulfonamido)-n-methylbenzofuran-3-carboxamide |
| BCP14777 |
| A922914 |
| F84824 |
| MS-28062 |
| 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide |
| bdbm50454876 |
| AC-35937 |
Protein Targets (11)
Potency Measurements
Inhibition Measurements
Activation Measurements
Bioassays (160)
| Assay ID | Title | Year | Journal | Article |
|---|
| AID1347091 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347092 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347098 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1745854 | NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS | 2023 | Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411 | In vivo quantitative high-throughput screening for drug discovery and comparative toxicology. |
| AID1347096 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1347108 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347105 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1347411 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347095 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1347093 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X | |
| AID1347107 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347104 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347094 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347100 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347090 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347097 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1745855 | NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay | 2023 | Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411 | In vivo quantitative high-throughput screening for drug discovery and comparative toxicology. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347102 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347101 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347106 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347089 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347103 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347099 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1070659 | Antiviral activity against wild type Hepatitis C virus genotype 1a harboring C316Y mutant infected in human HuH7 cells assessed as inhibition of viral replication after 48 hrs by luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID546789 | Antiviral activity against Hepatitis C virus genotype 1b in luciferase encoding genotype 1b replicons after 3 days by luciferase reporter assay | 2010 | Antimicrobial agents and chemotherapy, Aug, Volume: 54, Issue:8
ISSN: 1098-6596 | Novel hepatitis C virus reporter replicon cell lines enable efficient antiviral screening against genotype 1a. |
| AID501411 | Antiviral activity against HCV infected in human BB7 cells assessed as inhibition of viral replication after 3 days relative to HCV-796 | 2010 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 20, Issue:17
ISSN: 1464-3405 | Design and synthesis of HCV agents with sequential triple inhibitory potentials. |
| AID580569 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 K583T mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID544629 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 3a in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1374255 | Inhibition of HCV genotype 1a NS5A polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID1374260 | Inhibition of HCV genotype 3a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID520336 | Cytotoxicity against human HuH7 cells | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. |
| AID1070667 | Antiviral activity against wild type Hepatitis C virus genotype 1a infected in human HuH7 cells assessed as inhibition of viral replication after 48 hrs by luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID573851 | Antiviral activity against Hepatitis C virus GT-1b harboring NS5B polymerase C316Y mutant gene relative to wild type | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID573110 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID573856 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase C316Y/M414T mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID658635 | Inhibition of Hepatitis C virus genotype 1 NS5B RNA-dependent RNA polymerase | 2012 | Bioorganic & medicinal chemistry, May-15, Volume: 20, Issue:10
ISSN: 1464-3391 | Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations. |
| AID580563 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days by qRT-PCR analysis | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID544621 | Antiviral activity against Hepatitis C virus genotype 2a JFH1 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID573109 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9-13 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID544622 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 2b in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID476862 | Inhibition of HCV Con1 NS5B polymerase M414T mutant | 2010 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
ISSN: 1464-3405 | Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. |
| AID520335 | Antiviral activity against Hepatitis C virus subtype 1b Con1 infected in human HuH7 cells after 3 days by luciferase reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. |
| AID652399 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase thumb site 1 P495L mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID580572 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B C445F mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580562 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 uM HCV-796 and 400 nM boceprevir by qRT-PCR analysis relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1072970 | Antiviral activity against HCV1b infected in human HuH7 cells expressing luciferase reporter gene assessed as reduction of luciferase activity after 3 days | 2014 | ACS medicinal chemistry letters, Mar-13, Volume: 5, Issue:3
ISSN: 1948-5875 | Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues. |
| AID580487 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 E176G mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580561 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 nM HCV-796 and 800 nM boceprevir by qRT-PCR analysis | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1374254 | Inhibition of HCV genotype 1a NS5A polymerase L31V/Y93H double mutant infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID1854466 | Antiviral activity against HCV GT1b assessed as reduction in viral replication | 2022 | European journal of medicinal chemistry, Oct-05, Volume: 240ISSN: 1768-3254 | Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective. |
| AID580564 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 uM HCV-796 and 400 nM boceprevir by qRT-PCR analysis | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID652401 | Ratio of IC50 for Hepatitis C virus subtype 1a H77 NS5B Cdelta21 polymerase to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID573854 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase C316Y mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID544626 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus genotype 1a H77 in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1072969 | Selectivity index, ratio of CC50 for human HuH7 cells to EC50 for HCV1b | 2014 | ACS medicinal chemistry letters, Mar-13, Volume: 5, Issue:3
ISSN: 1948-5875 | Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues. |
| AID652402 | Inhibition of Hepatitis C virus genotype 2 NS5B Cdelta21 polymerase up to 10 uM | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID652400 | Ratio of IC50 for Hepatitis C virus subtype 1b BK NS5B Cdelta21 polymerase to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID580560 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 nM HCV-796 and 800 nM boceprevir by qRT-PCR analysis relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580482 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B C445F mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580483 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B I424V mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID544631 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 5a in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID580570 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B C316Y mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1070664 | Inhibition of C-terminal 6xHis-tagged Hepatitis C virus genotype 1b BK NS5B Cdelta21 RNA dependent RNA polymerase L47Q/F101Y/K1148 mutant after 30 mins in presence of [alpha-33P] | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID1070658 | Antiviral activity against wild type Hepatitis C virus genotype 1b harboring C316F mutant infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by Bright-glo luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID580568 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 G282S mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580571 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B I424V mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1374261 | Inhibition of HCV genotype 4a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID544632 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase L419I mutant in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1070666 | Antiviral activity against wild type Hepatitis C virus genotype 1b infected in human HuH7 cells assessed as inhibition of viral replication after 48 hrs by luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID580484 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS5B C316Y mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID573107 | Cytotoxicity against human Huh-Mono cells after 3 days by MTT assay | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID580486 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 G282S mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1374264 | Half life in Sprague-Dawley rat at 1 mg/kg, iv | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID652403 | Inhibition of Hepatitis C virus genotype 3 NS5B Cdelta21 polymerase up to 10 uM | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID573855 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase C316Y/L392F mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID573852 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase L392F mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID544623 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 3a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID520338 | Antiviral activity against HCV subtype 1b infected in human HuH7 cells assessed as number of resistant colonies formed at 15 times EC50 after 3 weeks | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. |
| AID1070656 | Inhibition of Hepatitis C virus genotype 1b NS5B Cdelta21 RNA dependent RNA polymerase 316N mutant using biotinylated polyC:oligoG/[alpha-P33]-GTP as template/substrate preincubated for 15 mins followed by template/substrate addition by scintillation prox | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID580574 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring C316Y and C445F mutations mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID573857 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase L392F/M414T mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID580567 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 E176G mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580480 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring C316Y and C445F mutations mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID546790 | Antiviral activity against Hepatitis C virus genotype 1a in luciferase encoding genotype 1a replicons after 3 days by luciferase reporter assay | 2010 | Antimicrobial agents and chemotherapy, Aug, Volume: 54, Issue:8
ISSN: 1098-6596 | Novel hepatitis C virus reporter replicon cell lines enable efficient antiviral screening against genotype 1a. |
| AID544624 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 4a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID580573 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring V170A and C316Y mutations mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580485 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 K583T mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID573859 | Antiviral activity against Hepatitis C virus GT-1a harboring wild type NS5B polymerase | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID1070660 | Antiviral activity against wild type Hepatitis C virus genotype 1b harboring C316Y mutant infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by Bright-glo luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID652398 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase thumb site 2 M423T mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID580558 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 V158M mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580481 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring V170A and C316Y mutations mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID658637 | Antiviral activity against Hepatitis C virus genotype 1b assessed as inhibition of viral replication by replicon assay | 2012 | Bioorganic & medicinal chemistry, May-15, Volume: 20, Issue:10
ISSN: 1464-3391 | Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations. |
| AID1374256 | Inhibition of NS5B polymerase in HCV genotype 1b infected human HuH7 replicon cells assessed as reduction in viral RNA level after 3 days by RT-PCR assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID501410 | Inhibition of HCV 1b NS5B Cdelta21 polymerase expressed in Escherichia coli assessed as inhibition of [alpha-33P]GTP incorporation into RNA relative to HCV-796 | 2010 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 20, Issue:17
ISSN: 1464-3405 | Design and synthesis of HCV agents with sequential triple inhibitory potentials. |
| AID573858 | Antiviral activity against Hepatitis C virus GT-1b harboring wild type NS5B polymerase | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID544630 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 4a in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID544633 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase I482L mutant in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID580488 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 V170A mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay relative to control | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1072968 | Cytotoxicity against human HuH7 cells expressing luciferase reporter gene after 3 days by WST-8 assay | 2014 | ACS medicinal chemistry letters, Mar-13, Volume: 5, Issue:3
ISSN: 1948-5875 | Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues. |
| AID658636 | Antiviral activity against Hepatitis C virus genotype 1a assessed as inhibition of viral replication by replicon assay | 2012 | Bioorganic & medicinal chemistry, May-15, Volume: 20, Issue:10
ISSN: 1464-3391 | Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations. |
| AID1374257 | Metabolic stability in rat liver microsomes assessed as parent compound remaining after 60 mins | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID573849 | Antiviral activity against Hepatitis C virus GT-1b assessed as inhibition of HCV replicon-encoded Renilla luciferase reporter activity after 3 days | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID544628 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 2b in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID544620 | Antiviral activity against Hepatitis C virus genotype 1a H77 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID573853 | Antiviral activity against Hepatitis C virus GT-1a harboring NS5B polymerase M414T mutant gene | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID652395 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase palm site 2 C316Y mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID573108 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-2 cells assessed as reduction in replicon RNA after 4 days by luciferase assay | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID476867 | Inhibition of HCV 1a NS5B polymerase | 2010 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
ISSN: 1464-3405 | Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. |
| AID573112 | Cytotoxicity against human Huh5-2 cells after 3 days by MTT assay | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID1374258 | Metabolic stability in human liver microsomes assessed as parent compound remaining after 60 mins | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID658639 | Inhibition of Hepatitis C virus con1 NS5B RNA-dependent RNA polymerase C316Y mutant | 2012 | Bioorganic & medicinal chemistry, May-15, Volume: 20, Issue:10
ISSN: 1464-3391 | Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations. |
| AID652390 | Inhibition of Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase assessed as incorporation of [33P]-CTP into heteropolymer RNA template after 2 hrs | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID501412 | Ratio of inhibition of HCV 1b NS5B Cdelta21 polymerase to inhibition of HCV relative to HCV-796 | 2010 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 20, Issue:17
ISSN: 1464-3405 | Design and synthesis of HCV agents with sequential triple inhibitory potentials. |
| AID652396 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase palm site 1 M414T mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID749449 | Inhibition of Hepatitis C virus CON1 NS5B RNA dependent RNA polymerase after 2 hrs by scintillation counting analysis | 2013 | Bioorganic & medicinal chemistry, Jun-01, Volume: 21, Issue:11
ISSN: 1464-3391 | Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods. |
| AID544634 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase L419I and I482L mutant in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1374268 | Oral bioavailability in Sprague-Dawley rat at 5 mg/kg | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID652397 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase palm site 1 G554D mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID1374265 | Clearance in Sprague-Dawley rat at 1 mg/kg, iv | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID476866 | Inhibition of HCV Con1 NS5B polymerase C316N mutant | 2010 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
ISSN: 1464-3405 | Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. |
| AID520332 | Antiviral activity against HCV infected in human assessed as log reduction in viral load measured on day 4 postdose | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. |
| AID1070657 | Antiviral activity against wild type Hepatitis C virus genotype 1b harboring S365T mutant infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by Bright-glo luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID476865 | Inhibition of HCV Con1 NS5B polymerase C316Y mutant | 2010 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
ISSN: 1464-3405 | Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. |
| AID1854468 | Antiviral activity against HCV GT1b 316N assessed as reduction in viral replication | 2022 | European journal of medicinal chemistry, Oct-05, Volume: 240ISSN: 1768-3254 | Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective. |
| AID520337 | Antiviral activity against HCV subtype 1b infected in human HuH7 cells assessed as number of resistant colonies formed at 10 times EC50 after 3 weeks | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. |
| AID573106 | Cytotoxicity against human Huh-9-13 cells after 3 days by MTT assay | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID658638 | Inhibition of Hepatitis C virus con1 NS5B RNA-dependent RNA polymerase | 2012 | Bioorganic & medicinal chemistry, May-15, Volume: 20, Issue:10
ISSN: 1464-3391 | Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations. |
| AID652394 | Ratio of IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase palm site 2 C316N mutant to IC50 for Hepatitis C virus genotype 1b Con1 NS5B Cdelta21 polymerase | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID1374259 | Inhibition of HCV genotype 2a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID1070665 | Antiviral activity against wild type Hepatitis C virus genotype 1b harboring C316N mutant infected in human HuH7 cells assessed as inhibition of viral replication after 48 hrs by luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID544625 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 5a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1374253 | Inhibition of HCV genotype 1b NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID476864 | Inhibition of HCV Con1 NS5B polymerase G554D mutant | 2010 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
ISSN: 1464-3405 | Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. |
| AID652404 | Inhibition of Hepatitis C virus genotype 4 NS5B Cdelta21 polymerase up to 10 uM | 2010 | ACS medicinal chemistry letters, Dec-09, Volume: 1, Issue:9
ISSN: 1948-5875 | Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase. |
| AID1070655 | Binding affinity to Hepatitis C virus genotype 1b NS5B Cdelta21 RNA dependent RNA polymerase 316N mutant assessed as dissociation half life at 10 uM by LC-MS/MS analysis | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. |
| AID544627 | Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus genotype 2a JFH1 in human Huh7.5 cells by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID580559 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID580565 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 V158M mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID573105 | Cytotoxicity against human HuH6 cells after 3 days by MTT assay | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID544619 | Antiviral activity against Hepatitis C virus isolate Con1 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay | 2008 | Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10
ISSN: 1098-6596 | Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. |
| AID1073123 | Antiviral activity against wild-type Hepatitis C virus genotype 1a infected in PXB mouse assessed as log reduction in viral mRNA titer at 100 mg/kg, po bid every 12 hrs for 7 days relative to control | 2014 | Journal of medicinal chemistry, Mar-13, Volume: 57, Issue:5
ISSN: 1520-4804 | Hepatitis C replication inhibitors that target the viral NS4B protein. |
| AID573850 | Antiviral activity against Hepatitis C virus GT-1a assessed as inhibition of HCV replicon-encoded Renilla luciferase reporter activity after 3 days | 2009 | Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
ISSN: 1098-6596 | GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796. |
| AID1374267 | AUC (infinity) in Sprague-Dawley rat at 1 mg/kg, iv | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID573111 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-Mono cells assessed as reduction in replicon RNA after 4 days by RT-qPCR analysis | 2008 | Antimicrobial agents and chemotherapy, Sep, Volume: 52, Issue:9
ISSN: 1098-6596 | Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors. |
| AID1374266 | Volume of distribution at steady state in Sprague-Dawley rat at 1 mg/kg, iv | 2018 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 28, Issue:5
ISSN: 1464-3405 | Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold. |
| AID580566 | Antiviral activity against Hepatitis C virus genotype 1b Con1 harboring NS3 V170A mutant infected in human HuH7.5 cells after 72 hrs by gaussia luciferase reporter assay | 2009 | Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2
ISSN: 1098-6596 | Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034). |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID977611 | Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | 2009 | The Journal of biological chemistry, Jun-05, Volume: 284, Issue:23
ISSN: 0021-9258 | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. |
| AID977608 | Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB | 2009 | The Journal of biological chemistry, Jun-05, Volume: 284, Issue:23
ISSN: 0021-9258 | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. |
Research
Studies (31)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 8 (25.81) | 29.6817 |
| 2010's | 15 (48.39) | 24.3611 |
| 2020's | 8 (25.81) | 2.80 |
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|
| Trials | 1 (3.23%) | 5.53% |
| Reviews | 2 (6.45%) | 6.00% |
| Case Studies | 1 (3.23%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 27 (87.10%) | 84.16% |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| coumarin | | coumarins | fluorescent dye;
human metabolite;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| salicylic acid | | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thioctic acid | | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| picolinic acid | | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thiamine | | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3-aminobenzamide | | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pleconaril | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4,5,6,7-tetrabromo-2-azabenzimidazole | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 4-(2-aminoethyl)benzenesulfonylfluoride | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| phenytoin | | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| acetazolamide | | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| alprenolol | | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amantadine | | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 2-aminothiazole | | 1,3-thiazoles;
primary amino compound | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amodiaquine | | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| baclofen | | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| benzamide | | benzamides | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| camphor, (+-)-isomer | | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| candesartan cilexetil | | biphenyls | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| candesartan | | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cetylpyridinium | | pyridinium ion | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chloroxylenol | | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chlorpromazine | | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ciprofibrate | | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| clomipramine | | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| danthron | | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| deferiprone | | 4-pyridones | iron chelator;
protective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| dipyridamole | | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| etidronate | | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 2-hexyloxybenzamide | | aromatic ether;
benzamides | antifungal agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| brl 42810 | | 2-aminopurines;
acetate ester | antiviral drug;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fluphenazine | | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fluorouracil | | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gabexate | | benzoate ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| glutaral | | dialdehyde | cross-linking reagent;
disinfectant;
fixative | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fasudil | | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| haloperidol | | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| miltefosine | | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hexylresorcinol | | resorcinols | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| beta-thujaplicin | | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hycanthone | | thioxanthenes | mutagen;
schistosomicide drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hydrochlorothiazide | | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| avapro | | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| itraconazole | | piperazines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| kojic acid | | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lapachol | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| loperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| loratadine | | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| losartan | | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mafenide | | aromatic amine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| methazolamide | | sulfonamide;
thiadiazoles | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| methocarbamol | | aromatic ether;
carbamate ester;
secondary alcohol | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mitoxantrone | | dihydroxyanthraquinone | analgesic;
antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| entinostat | | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ethylmaleimide | | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nabumetone | | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nafamostat | | benzoic acids;
guanidines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nevirapine | | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| omeprazole | | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| osalmide | | organic molecular entity | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oxethazaine | | amino acid amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| palmidrol | | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| papaverine | | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pentoxifylline | | oxopurine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| perhexiline | | piperidines | cardiovascular drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| phenazopyridine | | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4-phenylbutyric acid | | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| phenylmethylsulfonyl fluoride | | acyl fluoride | serine proteinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pimobendan | | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| praziquantel | | isoquinolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| probenecid | | benzoic acids;
sulfonamide | uricosuric drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| probucol | | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| promethazine | | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| propranolol | | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rimantadine | | alkylamine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rolipram | | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| scriptaid | | isoquinolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sebacic acid | | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | human metabolite;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fenofibrate | | benzochromenone;
delta-lactone;
naphtho-alpha-pyrone | platelet aggregation inhibitor;
Sir2 inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| imatinib | | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thalidomide | | phthalimides;
piperidones | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ticlopidine | | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| triamterene | | pteridines | diuretic;
sodium channel blocker | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trifluoperazine | | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| triflupromazine | | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trigonelline | | alkaloid;
iminium betaine | food component;
human urinary metabolite;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trimethobenzamide | | benzamides;
tertiary amino compound | antiemetic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trimethoprim | | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tyrphostin a9 | | alkylbenzene | geroprotector | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| delavirdine | | aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide | antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vesnarinone | | organic molecular entity | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| idoxuridine | | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chloramphenicol | | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lysine | | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| phenylethyl alcohol | | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zoxazolamine | | benzoxazole | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cycloheximide | | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ficusin | | psoralens | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tubercidin | | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trifluridine | | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 9,10-anthraquinone | | anthraquinone | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| salicylanilide | | benzanilide fungicide;
salicylamides;
salicylanilides | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gramine | | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| aminacrine | | aminoacridines;
primary amino compound | acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| methyl gallate | | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| monobenzone | | benzyl ether | allergen;
dermatologic drug;
melanin synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ditiocarb | | dithiocarbamic acids | chelator;
copper chelator | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| catechin | | catechin | antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| azacitidine | | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cepharanthine | | bisbenzylisoquinoline alkaloid;
isoquinolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| aloe emodin | | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chrysophanic acid | | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| osthol | | botanical anti-fungal agent;
coumarins | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| flavanone | | flavanones | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| phloretic acid | | hydroxy monocarboxylic acid | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oleanolic acid | | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| angelicin | | furanocoumarin | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thiophene-2-carboxylate | | thiophenecarboxylic acid | | 2008 | 2009 | 15.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
| diperodon | | carbamate ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| megestrol acetate | | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hydroxychloroquine sulfate | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ethambutol | | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| metformin hydrochloride | | hydrochloride | environmental contaminant;
hypoglycemic agent;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| antimycin a | | benzamides;
formamides;
macrodiolide;
phenols | antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 5,5'-dimethyl-2,2'-bipyridyl | | bipyridines | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| dichlorobenzyl alcohol | | benzyl alcohols;
dichlorobenzene | antiseptic drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| stavudine | | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| dideoxyadenosine | | adenosines;
purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vidarabine | | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3-deazaadenosine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zalcitabine | | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ancitabine | | diol;
organic heterotricyclic compound | antimetabolite;
antineoplastic agent;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chloropyramine | | aminopyridine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| levamisole | | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n'-nitrosonornicotine | | pyridines;
pyrrolidines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| daunorubicin | | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zidovudine | | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pyridoxal phosphate | | pyridinecarbaldehyde | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| nitazoxanide | | benzamides;
carboxylic ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| captopril | | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fiacitabine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ranolazine | | aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| imiquimod | | imidazoquinoline | antineoplastic agent;
interferon inducer | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| adefovir | | 6-aminopurines;
ether;
phosphonic acids | antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cidofovir anhydrous | | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| celgosivir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| valsartan | | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zanamivir | | guanidines | antiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| adefovir dipivoxil | | 6-aminopurines;
carbonate ester;
ether;
organic phosphonate | antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| emtricitabine | | monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone | antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| octyl gallate | | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| efavirenz | | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nelfinavir | | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| arctigenin | | lignan | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amprenavir | | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oseltamivir | | acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| epigallocatechin gallate | | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cephalotaxine | | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| desipramine hydrochloride | | hydrochloride | drug allergen | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mefloquine hydrochloride | | hydrochloride | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| aloxistatin | | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| propazole | | benzimidazoles | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| prulifloxacin | | fluoroquinolone antibiotic;
quinolone antibiotic | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| telmisartan | | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bergenin | | trihydroxybenzoic acid | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zoledronic acid | | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| artemisinin | | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| brinzolamide | | sulfonamide;
thienothiazine | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| dipropylacetamide | | fatty amide | geroprotector;
metabolite;
teratogenic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oxprenolol hydrochloride | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| opipramol hydrochloride | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| moroxydine | | biguanides | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thioxolone | | benzoxathiole | antiseborrheic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| honokiol | | biphenyls | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nobiletin | | methoxyflavone | antineoplastic agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lycorine | | indolizidine alkaloid | anticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| leupeptin | | aldehyde;
tripeptide | bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tetrandrine | | bisbenzylisoquinoline alkaloid;
isoquinolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| calpeptin | | amino acid amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fangchinoline | | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| maslinic acid | | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| atovaquone | | hydroxy-1,2-naphthoquinone | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| loganin | | beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol | anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| moexipril | | peptide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| aucubin | | organic molecular entity | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| catalpol | | organic molecular entity | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lekoptin | | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-methyladenosine | | methyladenosine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sivelestat | | N-acylglycine;
pivalate ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pyronaridine | | aminoquinoline | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| geniposide | | terpene glycoside | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| daidzin | | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sophocarpine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| marimastat | | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| elacridar | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| celastrol | | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | | leucine derivative | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vadimezan | | monocarboxylic acid;
xanthones | antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| e 64 | | dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion | antimalarial;
antiparasitic agent;
protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| umifenovir | | indolyl carboxylic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| safinamide | | amino acid amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3'-deoxycytidine | | | | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| atazanavir | | carbohydrazide | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 2'-o-methylcytidine | | methylcytidine | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| vx 497 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bcx 1812 | | 3-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| naproxen | | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| olmesartan | | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| telbivudine | | pyrimidine 2'-deoxyribonucleoside | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| celastrol methyl ester | | carboxylic ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| resiquimod | | imidazoquinoline | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tanshinone ii a | | abietane diterpenoid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| anacardic acid | | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| migalastat | | piperidines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| erlotinib | | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| limonin | | epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound | inhibitor;
metabolite;
volatile oil component | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| scutellarin | | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| etravirine | | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chelidonine | | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4-n-butylresorcinol | | resorcinols | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| darunavir | | carbamate ester;
furofuran;
sulfonamide | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| dapivirine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nsc 74859 | | amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester | STAT3 inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| berbamine | | bisbenzylisoquinoline alkaloid;
isoquinolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| u-104 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | | glycoside | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| bortezomib | | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ritonavir | | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tizoxanide | | salicylamides | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| arbutin | | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| conessine | | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| saquinavir | | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| abacavir | | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| linezolid | | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cephaelin | | pyridoisoquinoline | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| (-)-usnic acid | | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| acetylleucyl-leucyl-norleucinal | | aldehyde;
tripeptide | cysteine protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| resveratrol | | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tacrolimus | | macrolide lactam | bacterial metabolite;
immunosuppressive agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lycopene | | acyclic carotene | antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zithromax | | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| roflumilast | | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| L-cycloserine | | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| h 89 | | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4'-azidocytidine | | N-glycosyl compound | | 2008 | 2012 | 14.7 | low | 0 | 0 | 0 | 2 | 1 | 0 |
| bevirimat | | dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 maturation inhibitor;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| benzyloxycarbonylleucyl-leucyl-leucine aldehyde | | amino aldehyde;
carbamate ester;
tripeptide | proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tenofovir | | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| posaconazole | | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gw 257406x | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| shikonin | | hydroxy-1,4-naphthoquinone | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | | tropane alkaloid | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| cmx 001 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amd 8664 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| bay 41-4109 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bay 57-1293 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 2'-c-methyladenosine | | | | 2008 | 2012 | 14.0 | low | 0 | 0 | 0 | 2 | 1 | 0 |
| 2'-c-methylcytidine | | | | 2008 | 2023 | 12.8 | low | 0 | 0 | 0 | 4 | 0 | 1 |
| isoxanthohumol | | flavanones | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | | aromatic ether | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mecarbinate | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| acetyl-aspartyl-glutamyl-valyl-aspartal | | tetrapeptide | protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| octotropine methylbromide | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mercaptopurine | | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| jrf 12 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3,4'-dihydroxyflavone | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| 3-(3,4-dimethoxyphenyl)propenoic acid | | methoxycinnamic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| isoferulic acid | | ferulic acids | antioxidant;
biomarker;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cyclouridine | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zucapsaicin | | methoxybenzenes;
phenols | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nbd 556 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| thioguanine anhydrous | | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4,5,6,7-tetrachloroindan-1,3-dione | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| srpin340 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pr-619 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| p5091 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trovirdine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fti 277 | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vicriviroc | | (trifluoromethyl)benzenes | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| telaprevir | | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic | 2008 | 2023 | 12.0 | low | 0 | 0 | 0 | 4 | 1 | 1 |
| hcv 371 | | | | 2009 | 2009 | 15.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
| orlistat | | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| yya-021 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| sb 415286 | | C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline | antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sitagliptin | | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tak-220 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| jtk-303 | | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nbd 557 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| 5'-o-caffeoylquinic acid | | cinnamate ester;
cyclitol carboxylic acid | plant metabolite | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| luteolin-7-glucoside | | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cyclosporine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| harmine | | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| eprosartan | | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mycophenolate mofetil | | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amentoflavone | | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| genkwanin | | dihydroxyflavone;
monomethoxyflavone | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hyperoside | | beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mangostin | | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3-methylquercetin | | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| kaempferide | | 7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone | antihypertensive agent;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| orientin | | 3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone | antioxidant;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| scutellarein | | tetrahydroxyflavone | metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| trans-2,3',4,5'-tetrahydroxystilbene | | stilbenoid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| polydatin | | beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid | anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chicoric acid | | organooxygen compound | geroprotector;
HIV-1 integrase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| acteoside | | catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol | anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 |
| dorzolamide | | sulfonamide;
thiophenes | antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| topiramate | | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| geldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound | Hsp90 inhibitor | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| benzyloxycarbonyl-phe-ala-fluormethylketone | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | | carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| casticin | | dihydroxyflavone;
tetramethoxyflavone | apoptosis inducer;
plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | | beta-D-glucoside;
resorcinols;
stilbenoid | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tyrphostin ag 555 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pd 151746 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| lisinopril | | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| verteporfin | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| batimastat | | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| indinavir sulfate | | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| solanesol | | nonaprenol;
primary alcohol | plant metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pepstatin | | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| l 685458 | | carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms 806 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| tulobuterol hydrochloride | | organic molecular entity | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| salubrinal | | aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| (2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lithospermic acid | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| laq824 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ekb 569 | | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rilpivirine | | aminopyrimidine;
nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| (1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | | germacranolide | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| 4,5-di-O-caffeoylquinic acid | | quinic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| indigo carmine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| psi 6130 | | | | 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| (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 | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vildagliptin | | amino acid amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| belinostat | | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| valopicitabine | | | | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| hdac-42 | | amidobenzoic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| chlorhexidine | | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gs-7340 | | 6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester | antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| iniparib | | carbonyl compound;
organohalogen compound | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pri-2205 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mk 0752 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| givinostat | | carbamate ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pd 144418 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| bicyclol | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| midostaurin | | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ly 450139 | | peptide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| biln 2061 | | | | 2008 | 2010 | 15.0 | low | 0 | 0 | 0 | 2 | 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rivaroxaban | | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sb 3ct compound | | aromatic ether | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ginsenoside rb1 | | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rucaparib | | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cetilistat | | benzoxazine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ym 201636 | | aromatic amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| linagliptin | | aminopiperidine;
quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| odanacatib | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| apilimod | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| apixaban | | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| betrixaban | | benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| edoxaban | | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | | tripeptide;
ureas | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic | 2008 | 2023 | 10.7 | low | 0 | 0 | 0 | 2 | 0 | 1 |
| ly 411575 | | dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| galidesivir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| PB28 | | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| degrasyn | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| epoxomicin | | morpholines;
tripeptide | proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms 477118 | | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pha 680632 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tmc 353121 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| amd 070 | | aminoquinoline | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| danoprevir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms-626529 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms-663068 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| amenamevir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| vx 765 | | dipeptide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Dihydrotanshinone I | | abietane diterpenoid | anticoronaviral agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| alogliptin | | nitrile;
piperidines;
primary amino compound;
pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| fr 180204 | | pyrazoles;
ring assembly | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| alisporivir | | homodetic cyclic peptide | anticoronaviral agent | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| quisinostat | | indoles | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| carfilzomib | | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| resminostat | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| zk 756326 | | aromatic ether | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| balapiravir | | | | 2008 | 2023 | 8.5 | medium | 0 | 0 | 0 | 1 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| deoxyarbutin | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| abexinostat | | benzofurans | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| silvestrol | | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| narlaprevir | | azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas | anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| teneligliptin | | amino acid amide | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| dextrothyroxine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| veliparib | | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pf 03491390 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| alloin | | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| mdv 3100 | | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms-650032 | | oligopeptide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rg 7128 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oritavancin | | disaccharide derivative;
glycopeptide;
semisynthetic derivative | antibacterial drug;
antimicrobial agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pevonedistat | | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| uk 453,061 | | aromatic ether | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| N-(2-aminophenyl)-2-pyrazinecarboxamide | | aromatic amide | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| tegobuvir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pf-429242 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| olaparib | | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cx 4945 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pci 34051 | | indolecarboxamide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| lomibuvir | | thiophenecarboxylic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| delanzomib | | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pitavastatin(1-) | | hydroxy monocarboxylic acid anion | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| GRL-0617 | | benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline | anticoronaviral agent;
protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | | carbamate ester | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| jzl 184 | | benzodioxoles | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gsk 650394 | | phenylpyridine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| oprozomib | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| az 960 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| golgicide a | | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cobicistat | | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms-790052 | | biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative | antiviral drug;
nonstructural protein 5A inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ixazomib | | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ucph 101 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | | aryl sulfide;
thienopyrimidine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| baricitinib | | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| KOM70144 | | acetamides;
benzamides;
naphthalenes;
secondary carboxamide | anticoronaviral agent;
protease inhibitor | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| e-52862 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ly2811376 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| anagliptin | | amino acid amide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gardiquimod | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| grazoprevir | | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| abt-450 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| letermovir | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| sofosbuvir | | isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester | antiviral drug;
hepatitis C protease inhibitor;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | | benzoxazole | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| blz 945 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| azd3839 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| pf 3084014 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| unc 0638 | | quinazolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gs-9620 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| bms 708163 | | oxadiazole;
ring assembly | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gsk525762a | | benzodiazepine | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ML240 | | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| birinapant | | dipeptide | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ly2886721 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| nms-p118 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| tubastatin a | | hydroxamic acid;
pyridoindole;
tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| pracinostat | | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| spautin-1 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ldn 57444 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gsk1210151a | | imidazoquinoline | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| i-bet726 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gs-9669 | | | | 2022 | 2022 | 2.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| acy-1215 | | pyrimidinecarboxylic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gsk2485852 | | | | 2014 | 2022 | 6.0 | high | 0 | 0 | 0 | 0 | 1 | 1 |
| cudc-907 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mobic | | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tipranavir | | sulfonamide | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tasquinimod | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gsk1265744 | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| abt-267 | | aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| abt-333 | | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rgfp966 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| rg2833 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| pi-1840 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| acy-738 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| pelabresib | | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gs-5806 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| doravirine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gn6958 | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| vx-787 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ledipasvir | | azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound | antiviral drug;
hepatitis C protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| gs-5816 | | carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| g007-lk | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| selinexor | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| verdinexor | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| cb-839 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| mk-8742 | | carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| atglistatin | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| xen445 | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| santacruzamate a | | organonitrogen compound;
organooxygen compound | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| ldc4297 | | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| s 8932 | | aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
prodrug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| entecavir | | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| acyclovir | | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| nu 1025 | | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| didanosine | | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| ganciclovir | | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| valacyclovir | | L-valyl ester | antiviral drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| penciclovir | | 2-aminopurines;
propane-1,3-diols | antiviral drug | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 2'-o-methylguanosine | | methylguanosine | metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4-hydroxyquinazoline | | quinazolines | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| tegaserod | | carboxamidine;
guanidines;
hydrazines;
indoles | gastrointestinal drug;
serotonergic agonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| norclozapine | | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| aprepitant | | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| azilsartan | | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| hesperadin | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 3-deoxyguanosine | | 3'-deoxyribonucleoside;
guanosines | EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| 6-bromoindirubin-3'-acetoxime | | | | 2023 | 2023 | 1.0 | high | 0 | 0 | 0 | 0 | 0 | 1 |
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| XL413 | | benzofuropyrimidine;
organochlorine compound;
pyrrolidines | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| me0328 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
| nvp-tnks656 | | | | 2023 | 2023 | 1.0 | medium | 0 | 0 | 0 | 0 | 0 | 1 |
GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796.Antimicrobial agents and chemotherapy, , Volume: 53, Issue:5, 2009
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations.Bioorganic & medicinal chemistry, , May-15, Volume: 20, Issue:10, 2012
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:5, 2008
Hepatitis C RNA-dependent RNA polymerase inhibitors: a review of structure-activity and resistance relationships; different scaffolds and mutations.Bioorganic & medicinal chemistry, , May-15, Volume: 20, Issue:10, 2012
Novel hepatitis C virus reporter replicon cell lines enable efficient antiviral screening against genotype 1a.Antimicrobial agents and chemotherapy, , Volume: 54, Issue:8, 2010
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023
Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034).Antimicrobial agents and chemotherapy, , Volume: 53, Issue:2, 2009
Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:10, 2008
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:5, 2008
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023
Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues.ACS medicinal chemistry letters, , Mar-13, Volume: 5, Issue:3, 2014
Novel hepatitis C virus reporter replicon cell lines enable efficient antiviral screening against genotype 1a.Antimicrobial agents and chemotherapy, , Volume: 54, Issue:8, 2010
GT-1a or GT-1b subtype-specific resistance profiles for hepatitis C virus inhibitors telaprevir and HCV-796.Antimicrobial agents and chemotherapy, , Volume: 53, Issue:5, 2009
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:5, 2008
Novel hepatitis C virus reporter replicon cell lines enable efficient antiviral screening against genotype 1a.Antimicrobial agents and chemotherapy, , Volume: 54, Issue:8, 2010
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023
Selection and characterization of hepatitis C virus replicons dually resistant to the polymerase and protease inhibitors HCV-796 and boceprevir (SCH 503034).Antimicrobial agents and chemotherapy, , Volume: 53, Issue:2, 2009
Comparative in vitro anti-hepatitis C virus activities of a selected series of polymerase, protease, and helicase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:9, 2008
Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective.European journal of medicinal chemistry, , Oct-05, Volume: 240, 2022
Hepatitis C replication inhibitors that target the viral NS4B protein.Journal of medicinal chemistry, , Mar-13, Volume: 57, Issue:5, 2014
Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.Bioorganic & medicinal chemistry letters, , Apr-01, Volume: 20, Issue:7, 2010
Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor.Journal of clinical gastroenterology, , Volume: 43, Issue:4, 2009
HCV796: A selective nonstructural protein 5B polymerase inhibitor with potent anti-hepatitis C virus activity in vitro, in mice with chimeric human livers, and in humans infected with hepatitis C virus.Hepatology (Baltimore, Md.), , Volume: 49, Issue:3, 2009
Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:10, 2008
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.Proceedings of the National Academy of Sciences of the United States of America, , 12-08, Volume: 117, Issue:49, 2020
Hepatitis C replication inhibitors that target the viral NS4B protein.Journal of medicinal chemistry, , Mar-13, Volume: 57, Issue:5, 2014
HCV796: A selective nonstructural protein 5B polymerase inhibitor with potent anti-hepatitis C virus activity in vitro, in mice with chimeric human livers, and in humans infected with hepatitis C virus.Hepatology (Baltimore, Md.), , Volume: 49, Issue:3, 2009
Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective.European journal of medicinal chemistry, , Oct-05, Volume: 240, 2022
Hepatitis C replication inhibitors that target the viral NS4B protein.Journal of medicinal chemistry, , Mar-13, Volume: 57, Issue:5, 2014
Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.Bioorganic & medicinal chemistry letters, , Apr-01, Volume: 20, Issue:7, 2010
Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor.Journal of clinical gastroenterology, , Volume: 43, Issue:4, 2009
HCV796: A selective nonstructural protein 5B polymerase inhibitor with potent anti-hepatitis C virus activity in vitro, in mice with chimeric human livers, and in humans infected with hepatitis C virus.Hepatology (Baltimore, Md.), , Volume: 49, Issue:3, 2009
Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors.Antimicrobial agents and chemotherapy, , Volume: 52, Issue:10, 2008
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