Page last updated: 2024-08-02 19:04:17
amd 070
Description
mavorixafor: a derivative of AMD3100; a CXCR4 blocker [MeSH]
AMD 070 : no description available [CHeBI]
Cross-References
Synonyms (57)
| Synonym |
|---|
| HY-50101 |
| CHEBI:138865 |
| amd070 |
| n'-(1h-benzimidazol-2-ylmethyl)-n'-[(8s)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine |
| amd11070 |
| amd-11070 |
| (s)-n1-((1h-benzo[d]imidazol-2-yl)methyl)-n1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
| (s)-n-((1h-benzo[d]imidazol-2-yl)methyl)-n-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine |
| bdbm50315305 |
| amd 070 |
| CHEMBL518924 , |
| x4p-001 |
| mavorixafor |
| x4p001 |
| amd-070 |
| x 4p-001 |
| cxcr4 inhibitor x4p-001 |
| C20266 |
| unii-0g9lgb5o2w |
| 558447-26-0 |
| who 10724 |
| n'-((1h-benzo(d)imidazol-2-yl)methyl)-n'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
| amd 11070 |
| mavorixafor [usan] |
| 0g9lgb5o2w , |
| amd-070 hcl 75%(w/w%) |
| CS-1257 |
| CS-0352 |
| 1,4-butanediamine, n1-(1h-benzimidazol-2-ylmethyl)-n1-((8s)-5,6,7,8-tetrahydro-8-quinolinyl)- |
| mavorixafor [who-dd] |
| n1-(1h-benzimidazol-2-ylmethyl)-n1-((s)-5,6,7,8-tetrahydroquinolin-8-yl)-butane-1,4-diamine |
| 690656-53-2 |
| mavorixafor [inn] |
| 1,4-butanediamine, n-(1h-benzimidazol-2-ylmethyl)-n-((8s)-5,6,7,8-tetrahydro-8-quinolinyl)- |
| SCHEMBL2511950 |
| compound 2 [pmid: 20297846] |
| gtpl8580 |
| x4p-001-io |
| x4p-001-ld |
| n-(1h-benzimidazol-2-ylmethyl)-n-[(8s)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine |
| F31237 |
| NCGC00378947-02 |
| DB05501 |
| BCP07108 |
| mfcd11977316 |
| EX-A2661 |
| amd-070; mavorixafor |
| mavorixafor (usan) |
| D11510 |
| Q27074430 |
| n~1~-[(1h-benzimidazol-2-yl)methyl]-n~1~-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
| DTXSID60971247 |
| nsc-775637 |
| nsc775637 |
| amd-070 (amd11070) |
| NCGC00378947-03 |
| NCGC00378947-01 |
Drug Classes (1)
| Class | Description |
|---|
| aminoquinoline | Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups. |
Protein Targets (27)
Potency Measurements
Inhibition Measurements
Bioassays (189)
| Assay ID | Title | Year | Journal | Article |
|---|
| 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. |
| 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. |
| AID405274 | Drug level in fasting healthy human at 200 mg, po administered every 12 hrs measured after 72 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405248 | Apparent volume of distribution in fasting healthy human at 100 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405247 | Total apparent oral clearance in fasting healthy human at 100 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405482 | AUC (0 to 12 hrs) in fasting healthy human at 200 mg, po administered every 12 hrs measured between 72 to 84 hrs postdose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475359 | Displacement of radiolabeled IL8 from CXCR2 receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1354905 | Stability in mouse liver microsomes assessed as parent compound remaining at 0.5 uM after 10 mins by LC-MS analysis | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID1742056 | Half life in rat liver microsomes at 1 uM peincubated for 10 mins followed by NADPH addition and measured 60 mins by LC-MS/MS analysis | 2020 | European journal of medicinal chemistry, Nov-01, Volume: 205ISSN: 1768-3254 | |
| AID405264 | Tmax in fasting healthy human at 100 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1825989 | Inhibition of mu opioid receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405233 | Half life in rat | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405268 | AUC (0 to 12 hrs) in fasting healthy human at 100 mg, po administered every 12 hrs measured between 72 to 84 hrs postdose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475361 | Displacement of radiolabeled MIP1beta from CCR5 receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1785740 | Metabolic stability in rat liver microsomes assessed as parent compound remaining incubated for 10 mins in presence of NADPH | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID475392 | Half life in rat at 2.5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID520581 | Cmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 17 by HPLC in presence of 29 doses of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405261 | Total apparent oral clearance in fasting healthy human at 400 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405259 | Drug level in fasting healthy human at 400 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1825976 | Cmax in mouse at 30 mg/kg, po measured after 8 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1785749 | Volume of distribution in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1354908 | Permeability of the compound at pH 7.4 after 4 hrs by PAMPA | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID520578 | Tmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 17 by HPLC in presence of 29 doses of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1825990 | Inhibition of kappa opioid receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1825991 | Inhibition of dopamine D2 receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405267 | Drug level in in fasting healthy human at 100 mg, po administered every 12 hrs measured after 84 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475377 | Cmax in rat | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405254 | Total apparent oral clearance in fasting healthy human at 200 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1825995 | Half life in mouse at 3 mg/kg, iv measured after 8 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405292 | Induction of leucocytosis in fasting healthy human assessed as increase in WBC count at 400 mg, po administered every 12 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID559939 | Antiviral activity against HIV1 JRCSF infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID475374 | Ratio of IC50 for HIV1 NL4.3 infected in human MT4 cells to IC50 for HIV1 NL4.3 infected in human MT4 cells in presence of 10% human serum | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID475388 | Volume of distribution in rat at 2.5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405265 | Cmax in fasting healthy human at 100 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520582 | AUC (0 to infinity) in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 1 by HPLC | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1785744 | Inhibition of CYP3A4 (unknown origin) | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID405229 | Antiviral activity against HIV1 NL4.3 in human MT4 cells | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475360 | Antiviral activity against HIV1 NL4.3 infected in human PBMC assessed as inhibition of virus-induced cytopathicity | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1825987 | Inhibition of alpha 2A adrenergic receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID520589 | Apparent volume of distribution during terminal phase in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 3 by HPLC in presence of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405245 | Drug level in fasting healthy human at 100 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405260 | AUC ( 0 to infinity) in fasting healthy human at 400 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520579 | Cmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 1 by HPLC | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405252 | Drug level in fasting healthy human at 200 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405281 | Cmax in fasting healthy human at 400 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405283 | Drug level in in fasting healthy human at 400 mg, po administered every 12 hrs measured after 84 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405278 | Apparent volume of distribution in fasting healthy human at 200 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405273 | Cmax in fasting healthy human at 200 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475375 | Ratio of IC50 for HIV1 NL4.3 infected in human PBMC to IC50 for HIV1 NL4.3 infected in human MT4 cells | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID559935 | Antiviral activity against HIV1 NL4-3 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID405282 | Drug level in fasting healthy human at 400 mg, po administered every 12 hrs measured after 72 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520584 | AUC (0 to infinity) in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 17 by HPLC in presence of 29 doses of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID520586 | Apparent total clearance in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 3 by HPLC in presence of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID559941 | Antiviral activity against HIV1 A018H infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID520591 | Ratio of AUC on day 3 in presence of 100 mg/kg ritonavir to AUC on day 1 post-dose in absence of ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405232 | Oral bioavailability in dog | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405266 | Drug level in fasting healthy human at 100 mg, po administered every 12 hrs measured after 72 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405239 | Drug level in fasting healthy human at 50 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405294 | Decrease in CD4 cell count in fasting healthy human at 200 mg, po administered every 12 hrs measured after 24 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475371 | Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1252143 | Inhibition of human CYP2D6 at 1 uM | 2015 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 25, Issue:21
ISSN: 1464-3405 | Discovery of novel N-aryl piperazine CXCR4 antagonists. |
| AID1785743 | Permeability of the compound at pH 7.4 incubated for 4 hrs by PAMPA | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID520587 | Apparent total clearance in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 17 by HPLC in presence of 29 doses of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405280 | Tmax in fasting healthy human at 400 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1826003 | AUC(0 to 8 h)in mouse plasma at 3 mg/kg, po measured at 24 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID520576 | Tmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 1 by HPLC | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1785746 | Cmax in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1354906 | Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID1785747 | Cmax in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv measured up to 8 hrs by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1826007 | Oral bioavailability in mouse at 30 mg/kg measured at 24 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1252144 | Inhibition of human CYP3A4 at 1 uM | 2015 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 25, Issue:21
ISSN: 1464-3405 | Discovery of novel N-aryl piperazine CXCR4 antagonists. |
| AID405230 | Total apparent oral clearance in fasting healthy human at 50 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520595 | Ratio of Cmax on day 17 in presence of 29 doses of 100 mg/kg ritonavir to Cmax on day 1 post-dose in absence of ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1354901 | Agonist activity at CXCR4 in human CCRF-CEM cells measured for 90 secs by calcium flux assay | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID520594 | Ratio of Cmax on day 3 in presence of 100 mg/kg ritonavir to Cmax on day 1 post-dose in absence of ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID475362 | Displacement of radiolabeled IL8 from CXCR1 receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID579877 | Antiviral activity against X4 tropic HIV1 NL4.3 infected in CD4 and CXCR4 expressing human MT4 cells assessed as inhibition of viral cytopathicity | 2011 | Bioorganic & medicinal chemistry letters, Mar-01, Volume: 21, Issue:5
ISSN: 1464-3405 | Design of novel CXCR4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405279 | Half life in fasting healthy human at 200 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405291 | Induction of leucocytosis in fasting healthy human assessed as increase in WBC count at 200 mg, po administered every 12 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405237 | Tmax in fasting healthy human at 50 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1252142 | Inhibition of human CYP2C19 at 1 uM | 2015 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 25, Issue:21
ISSN: 1464-3405 | Discovery of novel N-aryl piperazine CXCR4 antagonists. |
| AID475378 | AUC (0 to infinity) in rat | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID520593 | Ratio of AUC on day 17 in presence of 29 doses of 100 mg/kg ritonavir to AUC on day 3 post-dose in presence of 100 mg/kg ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1056191 | Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection | 2013 | ACS medicinal chemistry letters, Nov-14, Volume: 4, Issue:11
ISSN: 1948-5875 | Discovery of tetrahydroisoquinoline-based CXCR4 antagonists. |
| AID1489787 | Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addition after 45 mins by fluorescence analysis | 2018 | Journal of medicinal chemistry, 02-08, Volume: 61, Issue:3
ISSN: 1520-4804 | Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. |
| AID520583 | AUC (0 to infinity) in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 3 by HPLC in presence of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1354904 | Stability in rat liver microsomes assessed as parent compound remaining at 0.5 uM after 10 mins by LC-MS analysis | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID405258 | Cmax in fasting healthy human at 400 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405285 | Total apparent oral clearance in fasting healthy human at 400 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405235 | Terminal half life in rat | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405269 | Total apparent oral clearance in fasting healthy human at 100 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475387 | Volume of distribution in rat at 5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID520577 | Tmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 3 by HPLC in presence of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405234 | Half life in dog | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1354903 | Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by acetylcholine addition measured for 90 secs by calcium-dye based assay | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID405296 | Induction of leucocytosis in po dosed fasting healthy human assessed as increase in WBC count | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405293 | Decrease in CD4 cell count in fasting healthy human at 100 mg, po administered every 12 hrs measured after 24 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID447855 | Antiviral activity against HIV1 3B infected in human HOS cells | 2009 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17
ISSN: 1464-3405 | Amine substituted N-(1H-benzimidazol-2ylmethyl)-5,6,7,8-tetrahydro-8-quinolinamines as CXCR4 antagonists with potent activity against HIV-1. |
| AID405249 | Half life in fasting healthy human at 100 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405295 | Decrease in CD4 cell count in fasting healthy human at 400 mg, po administered every 12 hrs measured after 24 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1826010 | Volume of distribution in mouse at 3 mg/kg, measured at 24 hrs by LC-MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1825992 | Inhibition of M2 mAChR receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1826001 | Drug concentration in mouse plasma at 30 mg/kg, po measured at 12 hrs by LC-MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405255 | Apparent volume of distribution in fasting healthy human at 200 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405286 | Apparent volume of distribution in fasting healthy human at 400 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520574 | Cmax in rat in presence of ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID520575 | Oral bio availability in rat in presence of ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1785742 | Inhibition of human recombinant CYP2D6 expressed in insect cells using AMMC as substrate preincubated for 30 mins followed by NADPH regenerating system addition and measured after 45 mins by fluorescence based assay | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID475365 | Displacement of radiolabeled MIP1alpha from CCR1 receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405242 | Half life in fasting healthy human at 50 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475396 | Oral bioavailability in dog at 6 mg/kg | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID475379 | Cmax in dog | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1354907 | Inhibition of CYP3A4 (unknown origin) | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID1825996 | Cmax in mouse at 3 mg/kg, iv measured after 8 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1825994 | Inhibition of human ERG by [3H]]Astemizole binding assay | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1785737 | Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1826002 | AUC(0 to 8 h) in mouse plasma at 3 mg/kg, iv measured at 24 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID447856 | Cytotoxicity against human HOS cells | 2009 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17
ISSN: 1464-3405 | Amine substituted N-(1H-benzimidazol-2ylmethyl)-5,6,7,8-tetrahydro-8-quinolinamines as CXCR4 antagonists with potent activity against HIV-1. |
| AID475391 | Half life in rat at 5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID1785750 | Half life in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID520592 | Ratio of AUC on day 17 in presence of 29 doses of 100 mg/kg ritonavir to AUC on day 1 post-dose in absence of ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405256 | Half life in fasting healthy human at 200 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1785739 | Metabolic stability in human liver microsomes assessed as parent compound remaining incubated for 10 mins in presence of NADPH | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1354900 | Stability in human liver microsomes assessed as parent compound remaining at 0.5 uM after 10 mins by LC-MS analysis | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID405262 | Apparent volume of distribution in fasting healthy human at 400 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID447858 | Antagonist activity at CXCR4 by noncompetitive binding assay | 2009 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17
ISSN: 1464-3405 | Amine substituted N-(1H-benzimidazol-2ylmethyl)-5,6,7,8-tetrahydro-8-quinolinamines as CXCR4 antagonists with potent activity against HIV-1. |
| AID405243 | Tmax in fasting healthy human at 100 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520580 | Cmax in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 3 by HPLC in presence of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405238 | Cmax in fasting healthy human at 50 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405287 | Half life in fasting healthy human at 400 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1785736 | AUC (0 to 8 hrs) in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv measured up to 8 hrs by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID1785748 | Clearance in CD-1 mouse at 30 mg/kg, po or at 3 mg/kg, iv by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID559937 | Antiviral activity against HIV1 89.6 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID481152 | Antiviral activity against HIV1 3B infected in human HOS cells expressing human CXCR4/CCR5/CD4/pHIV-LTR luciferase assessed as inhibition of viral infection to cells | 2010 | Bioorganic & medicinal chemistry letters, May-15, Volume: 20, Issue:10
ISSN: 1464-3405 | Synthesis and SAR of novel isoquinoline CXCR4 antagonists with potent anti-HIV activity. |
| AID475363 | Displacement of radiolabeled TARC from CCR4 receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID559940 | Antiviral activity against HIV1 R5 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID520590 | Apparent volume of distribution during terminal phase in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 17 by HPLC in presence of 29 doses of 100 mg/kg ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID475384 | Clearance in dog at 2.5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID475373 | Antiviral activity against HIV1 NL4.3 infected in human MT4 cells assessed as inhibition of virus-induced cytopathicity in presence of 10% human serum | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID475364 | Displacement of radiolabeled MCP1 from CCR2b receptor | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID559942 | Antiviral activity against HIV1 A018G infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID405270 | Apparent volume of distribution in fasting healthy human at 100 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405277 | Total apparent oral clearance in fasting healthy human at 200 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1354902 | Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay | 2018 | ACS medicinal chemistry letters, May-10, Volume: 9, Issue:5
ISSN: 1948-5875 | Discovery of |
| AID1825997 | Cmax in mouse at 3 mg/kg, po measured after 8 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405246 | AUC ( 0 to infinity) in fasting healthy human at 100 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475383 | Clearance in rat at 5 mg/kg, iv | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405241 | Apparent volume of distribution in fasting healthy human at 50 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405244 | Cmax in fasting healthy human at 100 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1825993 | Inhibition of alpha7 nicotinic acetylcholine receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID405253 | AUC ( 0 to infinity) in fasting healthy human at 200 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520596 | Ratio of Cmax on day 17 in presence of 29 doses of 100 mg/kg ritonavir to Cmax on day 3 post-dose in presence of 100 mg/kg ritonavir in po dosed HIV-infected patient | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405288 | Induction of leucocytosis in fasting healthy human assessed as increase in WBC count at 50 mg, po administered as single dose relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID559936 | Antiviral activity against HIV1 X4 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID1742055 | Intrinsic clearance in rat liver microsomes at 1 uM peincubated for 10 mins followed by NADPH addition and measured 60 mins by LC-MS/MS analysis | 2020 | European journal of medicinal chemistry, Nov-01, Volume: 205ISSN: 1768-3254 | |
| AID405290 | Induction of leucocytosis in fasting healthy human assessed as increase in WBC count at 100 mg, po administered every 12 hrs relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405251 | Cmax in fasting healthy human at 200 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475394 | Oral bioavailability in rat at 100 mg/kg | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405272 | Tmax in fasting healthy human at 200 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405263 | Half life in fasting healthy human at 400 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475380 | AUC (0 to infinity) in dog | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405275 | Drug level in in fasting healthy human at 200 mg, po administered every 12 hrs measured after 84 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405250 | Tmax in fasting healthy human at 200 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475376 | Ratio of IC90 for HIV1 NL4.3 infected in human PBMC to IC90 for HIV1 NL4.3 infected in human MT4 cells | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID405289 | Induction of leucocytosis in fasting healthy human assessed as increase in WBC count at 400 mg, po administered as single dose relative to baseline | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405236 | Terminal half life in dog | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1825988 | Inhibition of alpha 2C adrenergic receptor (unknown origin) | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1785751 | Oral bioavailability in CD-1 mouse at 30 mg/kg measured upto 8 hrs by UPLC-MS/MS analysis | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID405271 | Half life in fasting healthy human at 100 mg, po administered every 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID520573 | AUC in rat in presence of ritonavir | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID1826006 | Oral bioavailability in mouse at 3 mg/kg measured at 24 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1785741 | Metabolic stability in mouse liver microsomes assessed as parent compound remaining incubated for 10 mins in presence of NADPH | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| AID520588 | Apparent volume of distribution during terminal phase in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 1 by HPLC | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID520585 | Apparent total clearance in HIV-infected patient at 200 mg/kg, po administered as single dose measured on day 1 by HPLC | 2008 | Antimicrobial agents and chemotherapy, May, Volume: 52, Issue:5
ISSN: 1098-6596 | Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers. |
| AID405231 | Oral bioavailability in rat | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405257 | Tmax in fasting healthy human at 400 mg, po administered as single dose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID475367 | Antiviral activity against HIV1 NL4.3 infected in human MT4 cells expressing CD4 and CXCR4 assessed as inhibition of virus-induced cytopathicity | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
| AID559938 | Antiviral activity against HIV1 R5X4 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA | 2009 | Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7
ISSN: 1098-6596 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
| AID405240 | AUC ( 0 to infinity) in fasting healthy human at 50 mg, po administered as single dose after 12 hrs | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID405284 | AUC (0 to 12 hrs) in fasting healthy human at 400 mg, po administered every 12 hrs measured between 72 to 84 hrs postdose | 2007 | Antimicrobial agents and chemotherapy, Jul, Volume: 51, Issue:7
ISSN: 0066-4804 | Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects. |
| AID1826005 | AUC(0 to 8 h) in mouse plasma at 30 mg/kg, po measured at 24 hrs by LC-MS/MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1826009 | Clearence in mouse at 3 mg/kg, iv measured at 24 hrs by LC-MS analysis | 2022 | Journal of medicinal chemistry, 03-10, Volume: 65, Issue:5
ISSN: 1520-4804 | |
| AID1785738 | Antagonist activity at muscarinic acetylcholine receptor in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium release preincubated for 25 mins followed by acetylcholine addition and monitered for 90 sec | 2021 | ACS medicinal chemistry letters, Oct-14, Volume: 12, Issue:10
ISSN: 1948-5875 | Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. |
| 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. |
| 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. |
| 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. |
| 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. |
| 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. |
| AID1346821 | Human CXCR4 (Chemokine receptors) | 2008 | Molecular pharmacology, Dec, Volume: 74, Issue:6
ISSN: 1521-0111 | Comparison of the potential multiple binding modes of bicyclam, monocylam, and noncyclam small-molecule CXC chemokine receptor 4 inhibitors. |
| AID1346821 | Human CXCR4 (Chemokine receptors) | 2010 | Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
ISSN: 1520-4804 | Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
Research
Studies (42)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 7 (16.67) | 29.6817 |
| 2010's | 21 (50.00) | 24.3611 |
| 2020's | 14 (33.33) | 2.80 |
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|
| Trials | 7 (16.28%) | 5.53% |
| Reviews | 1 (2.33%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 35 (81.40%) | 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 |
|---|
| 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroquine | | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ciprofloxacin | | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glafenine | | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxychloroquine | | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-anilino-5,8-quinolinedione | | aminoquinoline;
aromatic amine;
p-quinones;
quinolone | antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| primaquine | | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylquipazine | | aminoquinoline;
N-alkylpiperazine;
N-arylpiperazine | serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pamaquine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2-Dihydroquinolin-2-imine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-3,4-dimethylimidazo(4,5-f)quinoline | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-4-aminoquinoline | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| desethylchloroquine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyronaridine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tafenoquine | | (trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxy-8-(3-diethylaminopropylamino)quinoline | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piperaquine | | aminoquinoline;
N-arylpiperazine;
organochlorine compound | antimalarial | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-8-quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-6401 | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 23766 | | aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound | antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amiridine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7-dimethyl-2-(1-pyrrolidinyl)-3-quinolinecarbonitrile | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-cyano-7-methoxy-2-quinolinyl)-4-piperidinecarboxylic acid ethyl ester | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-amino-2-methyl-3-quinolinyl)ethanone | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,6-dimethyl-N-phenyl-2-quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,6-dimethyl-N-(4-methylphenyl)-4-quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-(dimethylamino)ethylamino]-3-benzo[h]quinolinecarboxylic acid ethyl ester | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dibromo-6-[(3-quinolinylamino)methyl]phenol | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-methoxypropyl)thiourea | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]benzenesulfonamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-methoxy-2-(3-methoxyanilino)-3-quinolinecarbonitrile | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-N-(phenylmethyl)-4-quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bosutinib | | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ekb 569 | | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bulaquine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cp-673,451 | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N'-butan-2-yl-N-[2-(3,5-dimethyl-1-piperidinyl)-4-methyl-6-quinolinyl]butanediamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrile | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-hydroxyprimaquine | | aminoquinoline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| 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-(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 | | 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 |
| 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 | 2009 | 2023 | 8.0 | low | 0 | 0 | 0 | 1 | 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 | 2007 | 2023 | 11.0 | low | 1 | 0 | 0 | 2 | 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 |
| atazanavir | | carbohydrazide | antiviral drug;
HIV protease inhibitor | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 | 2009 | 2023 | 8.0 | low | 0 | 0 | 0 | 1 | 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 |
| 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-methylcytidine | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 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 | | 2009 | 2023 | 8.0 | low | 0 | 0 | 0 | 1 | 0 | 1 |
| telaprevir | | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 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 |
| 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 |
| 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 |
| hcv 796 | | | | 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 | | | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 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 |
| acy-1215 | | pyrimidinecarboxylic acid | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 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 |
| 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 |
| 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 |
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023
The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.Antimicrobial agents and chemotherapy, , Volume: 53, Issue:7, 2009
Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects.Antimicrobial agents and chemotherapy, , Volume: 51, Issue:7, 2007
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| midazolam | | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| carbon tetrachloride | | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| deoxycytidine | | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| paclitaxel | | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| gemcitabine | | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| plerixafor | | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant | 2008 | 2021 | 12.0 | low | 0 | 0 | 0 | 3 | 1 | 1 |
| triazoles | | 1,2,3-triazole | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| ritonavir | | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic | 2008 | 2008 | 16.0 | low | 1 | 0 | 0 | 1 | 0 | 0 |
| maraviroc | | tropane alkaloid | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| vicriviroc | | (trifluoromethyl)benzenes | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| dextromethorphan | | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indocyanine green | | 1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Dale DC, Firkin F, Bolyard AA, et al. Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome. Blood. 2020;136(26):2994-3003.Blood, , Jun-29, Volume: 141, Issue:26, 2023
Genotype-phenotype correlations in WHIM syndrome: a systematic characterization of CXCR4Genes and immunity, , Volume: 23, Issue:6, 2022
Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome.Blood, , 12-24, Volume: 136, Issue:26, 2020
Mavorixafor, an Orally Bioavailable CXCR4 Antagonist, Increases Immune Cell Infiltration and Inflammatory Status of Tumor Microenvironment in Patients with Melanoma.Cancer research communications, , Volume: 2, Issue:8, 2022
Inhibition of CXCR4-CXCL12 chemotaxis in melanoma by AMD11070.British journal of cancer, , Apr-30, Volume: 108, Issue:8, 2013
Genotype-phenotype correlations in WHIM syndrome: a systematic characterization of CXCR4Genes and immunity, , Volume: 23, Issue:6, 2022
Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome.Blood, , 12-24, Volume: 136, Issue:26, 2020
Hologram quantitative structure activity relationship, docking, and molecular dynamics studies of inhibitors for CXCR4.Chemical biology & drug design, , Volume: 85, Issue:2, 2015
Proof of activity with AMD11070, an orally bioavailable inhibitor of CXCR4-tropic HIV type 1.Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Mar-15, Volume: 48, Issue:6, 2009
The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.Antimicrobial agents and chemotherapy, , Volume: 53, Issue:7, 2009
HIV co-receptor drugs on the horizon.GMHC treatment issues : the Gay Men's Health Crisis newsletter of experimental AIDS therapies, , Volume: 18, Issue:7-8
Dale DC, Firkin F, Bolyard AA, et al. Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome. Blood. 2020;136(26):2994-3003.Blood, , Jun-29, Volume: 141, Issue:26, 2023
Genotype-phenotype correlations in WHIM syndrome: a systematic characterization of CXCR4Genes and immunity, , Volume: 23, Issue:6, 2022
Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome.Blood, , 12-24, Volume: 136, Issue:26, 2020
Mavorixafor, an Orally Bioavailable CXCR4 Antagonist, Increases Immune Cell Infiltration and Inflammatory Status of Tumor Microenvironment in Patients with Melanoma.Cancer research communications, , Volume: 2, Issue:8, 2022
Inhibition of CXCR4-CXCL12 chemotaxis in melanoma by AMD11070.British journal of cancer, , Apr-30, Volume: 108, Issue:8, 2013
Genotype-phenotype correlations in WHIM syndrome: a systematic characterization of CXCR4Genes and immunity, , Volume: 23, Issue:6, 2022
Results of a phase 2 trial of an oral CXCR4 antagonist, mavorixafor, for treatment of WHIM syndrome.Blood, , 12-24, Volume: 136, Issue:26, 2020
Hologram quantitative structure activity relationship, docking, and molecular dynamics studies of inhibitors for CXCR4.Chemical biology & drug design, , Volume: 85, Issue:2, 2015
Proof of activity with AMD11070, an orally bioavailable inhibitor of CXCR4-tropic HIV type 1.Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Mar-15, Volume: 48, Issue:6, 2009
The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.Antimicrobial agents and chemotherapy, , Volume: 53, Issue:7, 2009
HIV co-receptor drugs on the horizon.GMHC treatment issues : the Gay Men's Health Crisis newsletter of experimental AIDS therapies, , Volume: 18, Issue:7-8
Safety/Toxicity (1)
Pharmacokinetics (3)
| Article | Year |
|---|
Pharmacokinetic effect of AMD070, an Oral CXCR4 antagonist, on CYP3A4 and CYP2D6 substrates midazolam and dextromethorphan in healthy volunteers.
Journal of acquired immune deficiency syndromes (1999), , Apr-15, Volume: 47, Issue:5 | 2008 |
Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers.
Antimicrobial agents and chemotherapy, , Volume: 52, Issue:5 | 2008 |
Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects.
Antimicrobial agents and chemotherapy, , Volume: 51, Issue:7 | 2007 |
Bioavailability (11)
| Article | Year |
|---|
Mavorixafor, an Orally Bioavailable CXCR4 Antagonist, Increases Immune Cell Infiltration and Inflammatory Status of Tumor Microenvironment in Patients with Melanoma.
Cancer research communications, , Volume: 2, Issue:8 | 2022 |
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5 | 2019 |
Effect of a novel orally bioavailable CXCR4 inhibitor, AMD070, on the metastasis of oral cancer cells.
Oncology reports, , Volume: 40, Issue:1 | 2018 |
Impact of a CXCL12/CXCR4 Antagonist in Bleomycin (BLM) Induced Pulmonary Fibrosis and Carbon Tetrachloride (CCl4) Induced Hepatic Fibrosis in Mice.
PloS one, , Volume: 11, Issue:3 | 2016 |
Discovery of tetrahydroisoquinoline-based CXCR4 antagonists.
ACS medicinal chemistry letters, , Nov-14, Volume: 4, Issue:11 | 2013 |
Inhibition of CXCR4-CXCL12 chemotaxis in melanoma by AMD11070.
British journal of cancer, , Apr-30, Volume: 108, Issue:8 | 2013 |
The molecular pharmacology of AMD11070: an orally bioavailable CXCR4 HIV entry inhibitor.
Biochemical pharmacology, , Feb-15, Volume: 83, Issue:4 | 2012 |
Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication.
Journal of medicinal chemistry, , Apr-22, Volume: 53, Issue:8 | 2010 |
The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.
Antimicrobial agents and chemotherapy, , Volume: 53, Issue:7 | 2009 |
Proof of activity with AMD11070, an orally bioavailable inhibitor of CXCR4-tropic HIV type 1.
Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Mar-15, Volume: 48, Issue:6 | 2009 |
Pharmacokinetic effect of AMD070, an Oral CXCR4 antagonist, on CYP3A4 and CYP2D6 substrates midazolam and dextromethorphan in healthy volunteers.
Journal of acquired immune deficiency syndromes (1999), , Apr-15, Volume: 47, Issue:5 | 2008 |
Dosage (2)
| Article | Year |
|---|
Effect of low-dose ritonavir on the pharmacokinetics of the CXCR4 antagonist AMD070 in healthy volunteers.
Antimicrobial agents and chemotherapy, , Volume: 52, Issue:5 | 2008 |
Multiple-dose escalation study of the safety, pharmacokinetics, and biologic activity of oral AMD070, a selective CXCR4 receptor inhibitor, in human subjects.
Antimicrobial agents and chemotherapy, , Volume: 51, Issue:7 | 2007 |