sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. [CHeBI]
azd 8931 is involved in 5 pathway(s), involving a total of 1564 unique proteins and 279 unique compounds
| Assay ID | Title | Year | Journal | Article |
|---|
| AID1425135 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425204 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424984 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424946 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424966 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424918 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424945 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425038 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425211 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424947 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424933 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425140 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424895 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425190 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760311 | Volume of distribution at steady state in dog at 2 mg/kg, po and 1 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425046 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425121 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425158 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424989 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424974 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424971 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425148 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425193 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425030 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425130 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425187 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424990 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425098 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425017 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425159 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425213 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425093 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425172 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425179 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760319 | Fraction unbound in human plasma | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424912 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424944 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424934 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424904 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425075 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424900 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425067 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424928 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424986 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425073 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425101 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425082 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425162 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425087 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424910 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425100 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425153 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425169 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425076 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425040 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424995 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424926 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425117 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760308 | AUC in mouse at 50 mg/kg, po | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425145 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425012 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424998 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425192 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424909 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425021 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425142 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425049 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425182 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425059 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425083 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424925 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425001 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425050 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425086 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425010 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1330934 | Inhibition of human HER2 expressed in baculovirus/Sf21 system in presence of ATP by ELISA | 2017 | Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1
ISSN: 1464-3391 | Synthesis and investigation of novel 6-(1,2,3-triazol-4-yl)-4-aminoquinazolin derivatives possessing hydroxamic acid moiety for cancer therapy. |
| AID1424965 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425203 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425089 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425062 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760313 | Bioavailability in AP-Wistar rat at 5 mg/kg, po and 2 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425022 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425090 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424899 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425099 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425160 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425149 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425002 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425056 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424915 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425024 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425072 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424894 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425178 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424953 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424890 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424949 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425138 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424917 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425052 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424960 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760312 | Clearance in dog at 2 mg/kg, po and 1 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425171 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760318 | Lipophilicity, log D of the compound at pH 7.4 | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425157 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425128 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425035 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760314 | Volume of distribution at steady state in AP-Wistar rat at 5 mg/kg, po and 2 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID760333 | Fraction unbound in rat plasma | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1595616 | Antiproliferative activity against human UCH1 cells measured after 72 hrs by alamar blue assay | 2019 | Journal of medicinal chemistry, 05-09, Volume: 62, Issue:9
ISSN: 1520-4804 | Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma. |
| AID1425208 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424954 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425053 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425168 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424929 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425137 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425080 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760329 | Inhibition of heregulin-stimulated HER3 phosphorylation in human MCF7 cells | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424911 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425026 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425123 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425071 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425124 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424981 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1595620 | Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stimulation by sandwich-ELISA | 2019 | Journal of medicinal chemistry, 05-09, Volume: 62, Issue:9
ISSN: 1520-4804 | Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma. |
| AID1425205 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425034 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424963 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425212 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425199 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424996 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424921 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760335 | Inhibition of full-length HER2 phosphorylation transfected in in human MCF-7 cl.24 cells after 4 hrs by laser scanning fluorescence microplate cytometry | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424922 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425129 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760320 | Inhibition of CYP3A4 (unknown origin) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425045 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424962 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760328 | Selectivity ratio of IC50 for MNK1 (unknown origin) to IC50 for human HER2 kinase domain expressed in baculovirus/Sf21 system | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425036 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425134 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425141 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424897 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425194 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425069 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425113 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425200 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425110 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425065 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425063 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425210 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425047 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424997 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424978 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425054 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425048 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425201 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424907 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424919 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424920 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425006 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425136 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425147 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424901 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425019 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425004 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424977 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425150 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425156 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760325 | Selectivity ratio of IC50 for Flt-3 (unknown origin) to IC50 for human EGFR kinase domain expressed in baculovirus/Sf21 system | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425155 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425173 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425163 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760324 | Inhibition of CYP1A2 (unknown origin) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424892 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424908 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425115 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425109 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425144 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424964 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425146 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425175 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424950 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424994 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425064 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425119 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424972 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424969 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424970 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425033 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425174 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425057 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424983 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425051 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425112 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425037 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424939 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425084 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425181 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424952 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425070 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424993 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424955 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425007 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425206 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425029 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424980 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760331 | Inhibition of EGF-stimulated EGFR phosphorylation in human KB cells | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425103 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424948 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425027 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425196 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425043 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425165 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425106 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425097 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424889 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425125 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424958 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425095 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425013 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425185 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424902 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424992 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425016 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425195 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424893 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425189 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1545491 | Inhibition of human HER3 expressed in baculovirus/Sf21 system by ELISA | 2019 | European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254 | Recent advancements of 4-aminoquinazoline derivatives as kinase inhibitors and their applications in medicinal chemistry. |
| AID1424930 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424932 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760310 | Bioavailability in dog at 2 mg/kg, po and 1 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425041 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760332 | Inhibition of human EGFR kinase domain expressed in baculovirus/Sf21 system by ELISA | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425151 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425042 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760336 | Inhibition of human HER2 kinase domain expressed in baculovirus/Sf21 system by ELISA | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424999 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1545490 | Inhibition of human HER2 expressed in baculovirus/Sf21 system by ELISA | 2019 | European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254 | Recent advancements of 4-aminoquinazoline derivatives as kinase inhibitors and their applications in medicinal chemistry. |
| AID1425167 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425094 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424891 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425060 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425122 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425154 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425058 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425000 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424976 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425126 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424988 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424937 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760327 | Selectivity ratio of IC50 for MNK1 (unknown origin) to IC50 for human EGFR kinase domain expressed in baculovirus/Sf21 system | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424924 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425061 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425014 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425003 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424931 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424985 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425008 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425118 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425131 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424905 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424936 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760323 | Inhibition of CYP2C9 (unknown origin) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424975 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1545489 | Inhibition of human EFGR expressed in baculovirus/Sf21 system by ELISA | 2019 | European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254 | Recent advancements of 4-aminoquinazoline derivatives as kinase inhibitors and their applications in medicinal chemistry. |
| AID1424942 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425039 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760322 | Inhibition of CYP2D6 (unknown origin) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425197 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760321 | Inhibition of CYP2C19 (unknown origin) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1424951 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424961 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425085 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425143 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425164 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760307 | Antitumor activity against human LoVo cells xenografted in mouse assessed as tumor growth inhibition at 100 mg/kg, po qd | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425081 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424973 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425023 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424896 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425055 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425078 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760315 | Clearance in AP-Wistar rat at 5 mg/kg, po and 2 mg/kg, iv | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425028 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760317 | Apparent permeability from apical to basolateral side of human Caco2 cells at 10 uM | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425180 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425018 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425074 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425170 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425104 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425116 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760309 | Intrinsic clearance in human hepatocytes assessed per million cells | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425133 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425009 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760330 | Inhibition of heregulin-stimulated HER2 phosphorylation in human MCF7 cells | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425207 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425025 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425108 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424906 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425184 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424935 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760316 | Aqueous solubility of the compound in phosphate buffer at pH 6.8 | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425166 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425011 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424898 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425186 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425188 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424991 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425068 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424940 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425044 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425077 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424957 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID760326 | Selectivity ratio of IC50 for Flt-3 (unknown origin) to IC50 for human HER2 kinase domain expressed in baculovirus/Sf21 system | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1425111 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1595617 | Antiproliferative activity against human UCH2 cells measured after 72 hrs by alamar blue assay | 2019 | Journal of medicinal chemistry, 05-09, Volume: 62, Issue:9
ISSN: 1520-4804 | Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma. |
| AID1425191 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1330933 | Inhibition of human EGFR expressed in baculovirus/Sf21 system in presence of ATP by ELISA | 2017 | Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1
ISSN: 1464-3391 | Synthesis and investigation of novel 6-(1,2,3-triazol-4-yl)-4-aminoquinazolin derivatives possessing hydroxamic acid moiety for cancer therapy. |
| AID1425209 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425127 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425102 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425177 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424967 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425105 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1425161 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424923 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424987 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424968 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| AID1424941 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry | 2017 | Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367
ISSN: 1095-9203 | The target landscape of clinical kinase drugs. |
| 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. |
| 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. |
| 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. |
| AID1347112 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347119 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347089 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347097 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347104 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347100 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347115 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347109 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347128 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347106 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347117 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347127 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347116 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347122 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347113 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347105 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347102 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347107 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347124 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347123 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347114 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347096 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347129 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347126 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X | |
| AID1347093 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347118 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347110 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells) | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347121 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347098 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347090 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347125 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347091 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347092 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347111 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347101 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347103 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347108 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347095 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347099 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1347094 | qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells | 2018 | Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553 | Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing. |
| AID1345502 | Human epidermal growth factor receptor (Type I RTKs: ErbB (epidermal growth factor) receptor family) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1345553 | Human erb-b2 receptor tyrosine kinase 3 (Type I RTKs: ErbB (epidermal growth factor) receptor family) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1345653 | Human erb-b2 receptor tyrosine kinase 2 (Type I RTKs: ErbB (epidermal growth factor) receptor family) | 2013 | ACS medicinal chemistry letters, Aug-08, Volume: 4, Issue:8
ISSN: 1948-5875 | Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. |
| AID1347411 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| rtki cpd | | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfuzosin | | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bunazosin | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgs 15943 | | aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline | adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cl 387785 | | bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| whi p97 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ketanserin | | aromatic ketone;
organofluorine compound;
piperidines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metolazone | | organochlorine compound;
quinazolines;
sulfonamide | antihypertensive agent;
diuretic;
ion transport inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 153035 | | aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd168393 | | acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline | epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prazosin | | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terazosin | | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methaqualone | | quinazolines | GABA agonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinethazone | | quinazolines | antihypertensive agent;
diuretic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinazolines | | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mecloqualone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinelorane | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| halofuginone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycosine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| febrifugine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-trimethylene-4-quinazolone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenquizone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenazaquin | | quinazolines | acaricide;
mitochondrial NADH:ubiquinone reductase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluquinconazole | | conazole fungicide;
dichlorobenzene;
organofluorine compound;
quinazolines;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gefitinib | | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclazosin | | aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative | adenosine A2A receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyantrypine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| canertinib | | monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erlotinib | | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lapatinib | | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (5-amino-3-triazolo[1,5-a]quinazolinyl)-(4-morpholinyl)methanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mrs 1220 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-deoxyvasicine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-benzylquinazolin-4-amine | | benzenes;
quinazolines;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-methyl-4-oxo-3-(phenylmethyl)-7-(1-piperidinyl)-6-quinazolinyl]-3-pyridinecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[[[[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-6-quinazolinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline | | pyridines;
pyrrolidines;
quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine | | aromatic amine;
monofluorobenzenes;
pyridines;
quinazolines;
secondary amino compound;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | | piperidines;
quinazolines;
tertiary amino compound;
toluenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenyl-1H-quinazoline-4-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,3-dimethyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3-methoxyphenyl)-4-propan-2-yloxyquinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(phenylmethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-oxo-3-quinazolinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-methoxyphenyl)-2-(3-nitrophenyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Src Inhibitor-1 | | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-N-[(4-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-N-(2-furanylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methoxy-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SMER 28 | | organobromine compound;
quinazolines;
secondary amino compound | autophagy inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methoxy-2-(4-propoxyphenyl)quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-butoxy-3-phenyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine | | pyridines;
quinazolines;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazole | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,5-dimethyl-2-[[1-oxo-2-(4-quinazolinyloxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-[(6,8-dichloro-4-quinazolinyl)oxymethyl]-5-thiazolo[3,2-a]pyrimidinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-furanylmethyl)-4-oxo-N,N-dipropyl-2-sulfanylidene-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-(4-quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N'-(4-quinazolinyl)acetohydrazide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-N'-(4-quinazolinyl)benzohydrazide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide | | acetamide;
aromatic amine;
quinazolines;
secondary amino compound;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4-(5-Fluoro-4-imino-3,4-dihydroquinazolin-3-yl)isonicotinamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(4-chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-2-methyl-3-(4-pyridylmethyl)-3,4-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(7-chloro-4-quinazolinyl)oxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-19241 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-19663 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,4-dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3-nitrophenyl)-N-(phenylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-19894 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| importazole | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(6-quinolinyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| altanserin | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tandutinib | | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zd 6474 | | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N'-[2-[(2-cyclohexyl-4-quinazolinyl)thio]-1-oxoethyl]-2-methylpropanehydrazide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml106 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-pyridinyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[2-[butyl(methyl)amino]ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-diethoxy-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[1,3-dioxo-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]propyl]-1-piperazinecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| savirin | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)-1-cyclohexanecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-chlorophenyl)-2-(1-pyrrolidinyl)-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-(3-pyridinylmethyl)thiourea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromophenyl)-3-[3-(4-morpholinyl)propyl]-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch 79797 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-morpholinyl)-10-pyridazino[6,1-b]quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-ethylphenyl)-2-[[3-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide | | acetamide;
aromatic amine;
monofluorobenzenes;
quinazolines;
secondary amino compound;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyclohexyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-methoxyethyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine | | aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cb676475 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,5-dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GSK3-XIII | | aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ic 87114 | | 6-aminopurines;
biaryl;
quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zm 447439 | | aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| linagliptin | | aminopiperidine;
quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bibw 2992 | | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sotrastaurin | | indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines | anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| saracatinib | | aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| luotonin a | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PDGF receptor tyrosine kinase inhibitor III | | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erastin | | aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide | antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152 | | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 00299804 | | enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lapatinib ditosylate | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| idelalisib | | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-methoxyethyl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxo-N-propan-2-ylbutanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-butyl-N-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxo-3-quinazolinyl]phenyl]-N-(2-oxolanylmethyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[6,7-dimethoxy-3-(3-methoxyphenyl)-2,4-dioxo-1-quinazolinyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152-hqpa | | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chaetominine | | indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-[2-(1-piperidinyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-methylphenyl)-5-oxo-N-propyl-8-thiazolo[2,3-b]quinazolinecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zm323881 | | aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline | vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,5-dimethyl-4-isoxazolyl)-N-[(1-methyl-2-piperidinyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,5-dimethyl-4-isoxazolyl)-N-[1-(2-furanyl)ethyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-[(6-chloro-4-quinazolinyl)amino]ethyl]phenol | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ast 1306 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| poziotinib | | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-furanylmethyl)-N-methyl-6-(1-methyl-5-indolyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methoxyphenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1-methyl-5-indolyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-(2-chlorophenyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-(3-pyridinyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-6-(3-furanyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(4-methyl-2-thiophenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[5-(3-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[5-(2-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-2-(5-thiophen-2-yl-2-furanyl)-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[5-(3-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]-2-furanyl]-1,2-dihydroquinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cp 466722 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| unc 0638 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| unc 0321 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML240 | | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ncgc00242364 | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | | aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nu 1025 | | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxyquinazoline | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,8-dibromo-2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone | | aryl phosphate;
monochlorobenzenes;
quinazolines | fluorochrome | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycosminine | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-methoxyphenyl)-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[5-(3-chlorophenyl)-2-furanyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-pyridinylthio)methyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-ethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,5-diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysogine | | cyclic amide;
quinazoline alkaloid;
quinazolines;
secondary alcohol;
secondary amide | Aspergillus metabolite;
biological pigment;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(cyclohexylamino)-oxomethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester | | quinazolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ARS-1620 | | quinazolines | antineoplastic agent;
antiviral agent;
inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| astemizole | | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biperiden | | piperidines;
tertiary alcohol;
tertiary amino compound | antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clebopride | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cycrimine | | piperidines;
tertiary alcohol;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyproheptadine | | piperidines;
tertiary amine | anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphenidol | | benzenes;
piperidines;
tertiary alcohol | antiemetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphenylpyraline | | piperidines;
tertiary amine | cholinergic antagonist;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dipyridamole | | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| donepezil | | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dyclonine | | aromatic ketone;
piperidines | topical anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eperisone | | aromatic ketone;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl piperidinoacetylaminobenzoate | | benzoate ester;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fentanyl | | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fexofenadine | | piperidines;
tertiary amine | anti-allergic agent;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavoxate | | carboxylic ester;
flavones;
piperidines;
tertiary amino compound | antispasmodic drug;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flecainide | | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutethimide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ifenprodil | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ketotifen | | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mazaticol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mefloquine hydrochloride | | organofluorine compound;
piperidines;
quinolines;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylphenidate | | beta-amino acid ester;
methyl ester;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methixene | | piperidines;
thioxanthenes | antiparkinson drug;
histamine antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| perhexiline | | piperidines | cardiovascular drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pridinol | | piperidines;
tertiary alcohol | antiparkinson drug;
muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ritanserin | | organofluorine compound;
piperidines;
thiazolopyrimidine | antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| roxatidine acetate | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sb 220025 | | aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines | angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiperone | | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thioridazine | | phenothiazines;
piperidines | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tipepidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vesamicol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphemanil methylsulfate | | piperidines;
quaternary ammonium salt | bronchodilator agent;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phencyclidine | | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pempidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methylpiperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piperidine | | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jervine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ketobemidone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenoperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzetimide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piminodine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dexetimide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-chlorophenyl)-4-hydroxypiperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sufentanil | | anilide;
ether;
piperidines;
thiophenes | anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| paroxetine | | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| encainide | | benzamides;
piperidines | anti-arrhythmia drug;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfentanil | | monocarboxylic acid amide;
piperidines | central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| miglustat | | piperidines;
tertiary amino compound | anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| levocabastine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| preclamol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loxtidine | | aromatic ether;
piperidines;
primary alcohol;
triazoles | H2-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tzu 0460 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eliprodil | | monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tirofiban | | L-tyrosine derivative;
piperidines;
sulfonamide | anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methylfentanyl | | monocarboxylic acid amide;
piperidines | mu-opioid receptor agonist;
opioid analgesic;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carfentanil | | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| f 7302 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-fluorofentanyl | | monocarboxylic acid amide;
organofluorine compound;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tenocyclidine | | piperidines;
tertiary amino compound;
thiophenes | central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terikalant | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| repaglinide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiramide | | aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hp 873 | | 1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sufotidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fagomine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-nitrophenyl)piperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fentanyl isothiocyanate | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ritalinic acid | | monocarboxylic acid;
piperidines | drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenpropidine | | piperidines;
tertiary amine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sk&f 95282 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biperiden hydrochloride | | hydrochloride;
piperidines;
tertiary alcohol | antiparkinson drug;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenglutarimide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gr 113808 | | indolyl carboxylate ester;
piperidines;
sulfonamide | serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alphaprodine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lofentanil | | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine | | 1-benzothiophenes;
piperidines;
tertiary amino compound | dopamine uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| picaridin | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(4-piperidyl)isoxazol-3-ol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ku 1257 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 733060 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(n-benzylpiperidin-4-yl)-4-iodobenzamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 741626 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminopotentidine | | aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline | H2-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| migalastat | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zanapezil | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anacoline iodide | | dioxolane;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norfentanyl | | anilide;
monocarboxylic acid amide;
piperidines | drug metabolite;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| miglitol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| magellanine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tecomine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopamine | | piperidines | glioma-associated oncogene inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isofagomine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| efinaconazole | | conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-N-[3-[1-(phenylmethyl)-4-piperidinyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide | | acetamides;
piperidines;
pyridines;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vesamicol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-Piperidinobenzoic acid | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(phenylmethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbohydrazide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine | | piperidines;
thienopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[1-(phenylmethyl)-4-piperidinyl]-3-(2-propan-2-ylphenyl)thiourea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-ethylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tempo | | aminoxyls;
piperidines | catalyst;
ferroptosis inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-maleimido-2,2,6,6-tetramethylpiperidinooxyl | | aminoxyls;
dicarboximide;
maleimides;
piperidines | radical scavenger;
spin label | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine | | piperidines;
thienopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(4-fluorophenyl)urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-fluorophenyl)-3-[2-(1-piperidinyl)phenyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-chlorophenyl)-3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]methyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| femoxetine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phenyl-1-(4-phenylbutyl)piperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(1h-imidazol-4-ylmethyl)piperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-dimethyl-2,6-bis(4-methylphenyl)-4-piperidinone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4-dimethyl-6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]quinoxaline-2,3-dione | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoic acid [[1-(4-nitrophenyl)-4-piperidinylidene]amino] ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-3-(3-methylphenyl)urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LY-310762 | | aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound | receptor modulator;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[2-furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-nitro-6-(3-nitrophenyl)-2-piperidinone | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-nitro-4-[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]benzenesulfonamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pibutidine | | aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound | anti-ulcer drug;
H2-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| palbociclib | | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| opc-67683 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 25-6981 | | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 174494 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-demethylloperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms201038 | | (trifluoromethyl)benzenes;
benzamides;
fluorenes;
piperidines | anticholesteremic drug;
MTP inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| casopitant | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pimavanserin | | aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas | 5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rolapitant | | azaspiro compound;
ether;
organofluorine compound;
piperidines;
pyrrolidin-2-ones | antiemetic;
neurokinin-1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 7867 | | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 7519 | | dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alogliptin | | nitrile;
piperidines;
primary amino compound;
pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dorsomorphin | | aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines | bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-o-desmethyl donepezil | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nvp-tae684 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [3-[(2-methylphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]methanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-phenyl-1-piperidinyl)methyl]oxazole | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [3-[(3-chlorophenyl)methyl]-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]methanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[4-[1-(2-fluorophenyl)-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazinyl]ethanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdc-0973 | | aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk690693 | | 1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| WAY-316606 | | (trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone | secreted frizzled-related protein 1 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alcaftadine | | aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound | anti-allergic agent;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-methylpropyl)-4-(phenylmethyl)-1-piperidinecarbothioamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid | | carboxylic acid;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niraparib | | benzenes;
indazoles;
piperidines;
primary carboxamide | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ipi-926 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asp3026 | | aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bix 01294 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 3845 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glasdegib | | benzimidazoles;
nitrile;
phenylureas;
piperidines | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ulixacaltamide | | benzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide | non-narcotic analgesic;
T-type calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Mps1-IN-2 | | piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gilteritinib | | aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alectinib | | aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ceritinib | | aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk2879552 | | benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ldc4297 | | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PF-06446846 | | benzamides;
monochloropyridine;
piperidines;
tertiary carboxamide;
triazolopyridine | antilipemic drug;
EC 3.4.21.61 (kexin) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 48-8071 | | aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound | antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bicalutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flunitrazepam | | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flurazepam | | 1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound | anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutrimazole | | imidazole antifungal drug;
imidazoles;
monofluorobenzenes | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midazolam | | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| p-fluorophenylalanine | | fluoroamino acid;
monofluorobenzenes;
non-proteinogenic alpha-amino acid;
phenylalanine derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-fluorophenylalanine | | monofluorobenzenes;
non-proteinogenic alpha-amino acid;
phenylalanine derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-fluorophenol | | fluorophenol;
monofluorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluorobenzenes | | monofluorobenzenes | NMR chemical shift reference compound | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azaperone | | aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| didesethylflurazepam | | 1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
primary amino compound | anticonvulsant;
anxiolytic drug;
drug metabolite;
GABAA receptor agonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| difloxacin | | fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brequinar | | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atorvastatin | | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amperozide | | diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flusilazole | | conazole fungicide;
monofluorobenzenes;
organosilicon compound;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| foe 5043 | | aromatic amide;
monofluorobenzenes;
thiadiazoles | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutriafol | | monofluorobenzenes;
tertiary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flufenoxuron | | (trifluoromethyl)benzenes;
benzoylurea insecticide;
difluorobenzene;
monochlorobenzenes;
monofluorobenzenes | mite growth regulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-hydroxymethylmidazolam | | aromatic primary alcohol;
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | drug metabolite;
human blood serum metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mosapride | | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxymidazolam | | imidazobenzodiazepine;
monofluorobenzenes;
organic hydroxy compound;
organochlorine compound | drug metabolite;
human blood serum metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-hydroxymethylmidazolam glucuronide | | beta-D-glucosiduronic acid;
imidazobenzodiazepine;
monofluorobenzenes;
monosaccharide derivative;
organochlorine compound | drug metabolite;
human blood serum metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 23121 | | aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sb 203580 | | imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rosuvastatin | | dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide | anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione | | monofluorobenzenes;
pyrimidopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epoxiconazole | | epoxide;
monochlorobenzenes;
monofluorobenzenes;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinoxyfen | | aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pitavastatin | | cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic) | antioxidant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide | | (trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prasugrel | | acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 0325901 | | difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound | antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scio-469 | | aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly2090314 | | diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| binimetinib | | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| regorafenib | | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MI-63 | | azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide | apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 0348292 | | monochlorobenzenes;
monofluorobenzenes;
pyridone;
pyrrolidines;
secondary carboxamide;
ureas | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | | aminopyrimidine;
imidazoles;
monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 60-4552 | | aminopyrimidine;
carbamate ester;
monofluorobenzenes;
pyrazolopyridine | antihypertensive agent;
drug metabolite;
soluble guanylate cyclase activator;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mdv 3100 | | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dafadine B | | aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olaparib | | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lcl161 | | 1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GDC-0623 | | hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tak-632 | | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| raltegravir | | 1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide | antiviral drug;
HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly3009120 | | aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf-06463922 | | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| praliciguat | | aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol | anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sotorasib | | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dinitrochlorobenzene | | C-nitro compound;
monochlorobenzenes | allergen;
epitope;
sensitiser | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bupropion | | aromatic ketone;
monochlorobenzenes;
secondary amino compound | antidepressant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pk 11195 | | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-chlorophenyl)biguanide | | biguanides;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-chlorophenyl)piperazine | | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorocresol | | hydroxytoluene;
monochlorobenzenes | antimicrobial agent;
disinfectant;
ryanodine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| win 53338 | | isoxazoles;
monochlorobenzenes | antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acemetacin | | carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amlodipine | | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azelastine | | monochlorobenzenes;
phthalazines;
tertiary amino compound | anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azosemide | | monochlorobenzenes;
sulfonamide;
tetrazoles;
thiophenes | loop diuretic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baclofen | | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbinoxamine | | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbonyl cyanide m-chlorophenyl hydrazone | | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cetirizine | | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorhexidine | | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlormezanone | | 1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone | antipsychotic agent;
anxiolytic drug;
muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroxylenol | | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorphenesin carbamate | | carbamate ester;
monochlorobenzenes;
secondary alcohol | muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorpheniramine | | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorpropamide | | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorpropham | | benzenes;
carbamate ester;
monochlorobenzenes | herbicide;
plant growth retardant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorthalidone | | isoindoles;
monochlorobenzenes;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clemizole | | benzimidazoles;
monochlorobenzenes;
pyrrolidines | histamine antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofazimine | | monochlorobenzenes;
phenazines | dye;
leprostatic drug;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofibrate | | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofibric acid | | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clonazepam | | 1,4-benzodiazepinone;
monochlorobenzenes | anticonvulsant;
anxiolytic drug;
GABA modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clorprenaline | | ethanolamines;
monochlorobenzenes;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clotrimazole | | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| croconazole | | aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dichlorodiphenyl dichloroethylene | | chlorophenylethylene;
monochlorobenzenes | human xenobiotic metabolite;
persistent organic pollutant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ddt | | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| econazole | | dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenofibrate | | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenvalerate | | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyburide | | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| haloperidol | | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxyzine | | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indomethacin | | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ketamine | | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lofepramine | | aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound | antidepressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metoclopramide | | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| moclobemide | | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nefazodone | | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nemonapride | | benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niclosamide | | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ag 1879 | | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proglumetacin | | aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrimethamine | | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulconazole | | dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ticlopidine | | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trazodone | | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclosan | | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zomepirac | | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dichlorodiphenyldichloroethane | | chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| systhane | | monochlorobenzenes;
nitrile;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| buclizine | | monochlorobenzenes;
N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bis(p-chlorophenyl)acetic acid | | monocarboxylic acid;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-chloro-2-nitrobenzene | | C-nitro compound;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| picryl chloride | | C-nitro compound;
monochlorobenzenes | allergen;
epitope;
explosive;
hapten | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3'-dichlorobenzidine | | biphenyls;
monochlorobenzenes;
organochlorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mecoprop | | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-4-chlorophenoxyacetic acid | | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-4-chlorophenoxy gamma-butyric acid | | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chloro-4-methylaniline | | chloroaniline;
monochlorobenzenes | avicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloro-1,2-diaminobenzene | | monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fentichlor | | aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol | antiinfective agent;
drug allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dyrene | | monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclocarban | | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| barban | | acetylenic compound;
carbamate ester;
monochlorobenzenes | herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorphenesin | | glycol;
monochlorobenzenes;
propane-1,2-diols | antibacterial drug;
antifungal drug;
muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorotoluene | | monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloroaniline | | chloroaniline;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorobenzene | | monochlorobenzenes | solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dicofol | | monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetradifon | | monochlorobenzenes;
organochlorine acaricide;
sulfone;
trichlorobenzene | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroprocaine | | benzoate ester;
monochlorobenzenes | central nervous system depressant;
local anaesthetic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monuron | | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-chlorosalicylic acid | | chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloflucarban | | monochlorobenzenes;
phenylureas | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloroacetanilide | | acetamides;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrrolnitrin | | alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles | antifungal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloro-2-cresol | | monochlorobenzenes;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorophenylacetic acid | | monocarboxylic acid;
monochlorobenzenes | xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,4'-dichlorobiphenyl | | dichlorobiphenyl;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorocatechol | | chlorocatechol;
monochlorobenzenes | bacterial xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-chloro-4-aminobenzoic acid | | aminobenzoic acid;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ddms | | chlorophenylethane;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-bromo-2-chlorophenol | | halophenol;
monochlorobenzenes;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chlorocatechol | | chlorocatechol;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorophenoxyacetic acid | | chlorophenoxyacetic acid;
monochlorobenzenes | phenoxy herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clemastine | | monochlorobenzenes;
N-alkylpyrrolidine | anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlortoluron | | monochlorobenzenes;
phenylureas | agrochemical;
environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methoxuron | | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene | agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alclofenac | | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benthiocarb | | monochlorobenzenes;
monothiocarbamic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4'-dichlorobiphenyl | | dichlorobiphenyl;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diflubenzuron | | benzoylurea insecticide;
monochlorobenzenes | insect sterilant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| climbazole | | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| profenofos | | monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bezafibrate | | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triadimefon | | aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benoxaprofen | | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triadimenol | | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| closantel | | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenarimol | | monochlorobenzenes;
pyrimidines;
tertiary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triflumuron | | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butoconazole | | aryl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorsulfuron | | methoxy-1,3,5-triazine;
monochlorobenzenes;
N-sulfonylurea | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluvalinate | | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fomesafen | | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3,4,4'5-pentachlorobiphenyl | | monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clomazone | | isoxazolidinone;
monochlorobenzenes | agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tepoxalin | | aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles | antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clopidogrel | | methyl ester;
monochlorobenzenes;
thienopyridine | anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazuron | | aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas | acaricide;
mite growth regulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flucofuron | | (trifluoromethyl)benzenes;
monochlorobenzenes;
organochlorine pesticide;
organofluorine pesticide;
phenylureas | epitope | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lonazolac | | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chloroperbenzoic acid | | monochlorobenzenes;
peroxy acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofentezine | | monochlorobenzenes;
organochlorine acaricide;
tetrazine | mite growth regulator;
tetrazine acaricide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tebuconazole | | monochlorobenzenes;
tertiary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyproconazole | | cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | | monochlorobenzenes;
nitrile;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metconazole | | conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloransulam-methyl | | methyl ester;
monochlorobenzenes;
organofluorine compound;
sulfonamide;
triazolopyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-5-chlorophenol | | monochlorobenzenes;
phenols;
primary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pencycuron | | monochlorobenzenes;
phenylureas | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazinam | | (trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound | allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorfenapyr | | hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles | proacaricide;
proinsecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclonifen | | aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline | agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyraclofos | | monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organosulfur compound;
organothiophosphate insecticide;
pyrazoles | agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| novaluron | | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr141716 | | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chloro-L-tyrosine | | chloroamino acid;
L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monochlorobenzenes;
non-proteinogenic L-alpha-amino acid | biomarker;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rh-0345 | | bisacylhydrazine insecticide;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chloro-4-hydroxyphenylacetic acid | | hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols | mammalian metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vatalanib | | monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carpropamid | | amide fungicide;
cyclopropylcarboxamide;
monochlorobenzenes | antifungal agrochemical;
EC 4.2.1.94 (scytalone dehydratase) inhibitor;
melanin synthesis inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tipifarnib | | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile | | monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles | acaricide;
antifouling biocide;
insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | | anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sorafenib | | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dabuzalgron | | aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide | alpha-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 778,123 | | imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea | | monochlorobenzenes;
phenylureas;
pyrazoles | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | | 6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound | antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorocinnamic acid | | monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oncrasin-1 | | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile | | monochlorobenzenes;
nitrile;
pyrimidone;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide | | monochlorobenzenes;
pyrimidone;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| capsazepine | | benzazepine;
catechols;
monochlorobenzenes;
thioureas | capsaicin receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea | | 1,3-thiazoles;
monochlorobenzenes;
phenylureas;
thiophenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide | | anilide fungicide;
monocarboxylic acid amide;
monochlorobenzenes;
organosulfur compound;
thiadiazoles | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | | ethyl ester;
monochlorobenzenes;
organofluorine compound;
pyrazoles;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr 144528 | | bridged compound;
monochlorobenzenes;
pyrazoles;
secondary carboxamide | CB2 receptor antagonist;
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorobenzoyl coenzyme a | | chlorobenzoyl-CoA;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 663536 | | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brl 15572 | | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML162 | | monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-(2-chlorophenoxy)butyl]imidazole | | aromatic ether;
imidazoles;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clopidogrel carboxylic acid | | monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine | drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sc 560 | | aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ver-49009 | | aromatic amide;
monochlorobenzenes;
monomethoxybenzene;
pyrazoles;
resorcinols | Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jtk-303 | | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alvocidib | | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kn 93 | | monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-(3-chlorostyryl)caffeine | | monochlorobenzenes;
trimethylxanthine | adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chlorochalcone | | chalcones;
monochlorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethomorph | | aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinidon-ethyl | | ethyl ester;
isoindoles;
monochlorobenzenes | herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proguanil | | biguanides;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monorden | | cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols | antifungal agent;
metabolite;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clovoxamine | | 5-methoxyvalerophenone O-(2-aminoethyl)oxime;
monochlorobenzenes | antidepressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrachlostrobin | | aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ascofuranone | | dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone | angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uniconazole | | monochlorobenzenes;
secondary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lumefantrine | | fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine | antimalarial | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| strobilurin b | | enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene | antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex 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 |
| prothioconazole | | cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
thiocarbonyl compound;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminopurvalanol a | | monochlorobenzenes;
purvalanol | protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorhexidine | | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lenvatinib | | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sd 0006 | | monochlorobenzenes;
N-acylpiperidine;
primary alcohol;
pyrazoles;
pyrimidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dapagliflozin | | aromatic ether;
C-glycosyl compound;
monochlorobenzenes | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| solabegron | | carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline | beta-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 6244 | | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ki16425 | | carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluoxastrobin | | aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt-737 | | aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzobicyclon | | aromatic ketone;
carbobicyclic compound;
cyclic ketone;
monochlorobenzenes;
organic sulfide;
sulfone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ascochlorin | | cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid | angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorantranilipole | | monochlorobenzenes;
organobromine compound;
pyrazole insecticide;
pyrazoles;
pyridines;
secondary carboxamide | ryanodine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandipropamid | | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tembotrione | | aromatic ketone;
beta-triketone;
cyclic ketone;
ether;
monochlorobenzenes;
organofluorine compound;
sulfone | agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butafenacil | | benzoate ester;
diester;
monochlorobenzenes;
olefinic compound;
organofluorine compound | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| empagliflozin | | aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methampicillin | | monochlorobenzenes;
tertiary alcohol;
triazoles | brassinosteroid biosynthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 7545 | | benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdc 0449 | | benzamides;
monochlorobenzenes;
pyridines;
sulfone | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| navitoclax | | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone | | 1,3-thiazoles;
hydrazone;
monochlorobenzenes | EC 2.3.1.48 (histone acetyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plx4032 | | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazaindolizine | | aromatic amide;
imidazopyridine;
monocarboxylic acid amide;
monochlorobenzenes;
monomethoxybenzene;
N-sulfonylcarboxamide;
organofluorine pesticide | agrochemical;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML-210 | | C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide | antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt-199 | | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 4800567 | | aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pelabresib | | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MS-417 | | methyl ester;
monochlorobenzenes;
thienotriazolodiazepine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol | | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ivosidenib | | cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| liproxstatin-1 | | azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound | antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinacrine | | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vanilmandelic acid | | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2,4-dichlorophenoxy)butyric acid | | aromatic ether;
monocarboxylic acid;
organochlorine compound | agrochemical;
phenoxy herbicide;
synthetic auxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| win 52035 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| win 52084 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(nonyloxy)tryptamine | | aromatic ether;
primary amino compound;
tryptamines | serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylbufotenin | | aromatic ether;
tertiary amino compound;
tryptamine alkaloid | hallucinogen;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxytryptamine | | aromatic ether;
primary amino compound;
tryptamines | 5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amsacrine | | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid i | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | | aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bufetolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bufexamac | | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bunitrolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bupranolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| verapamil | | aromatic ether;
nitrile;
polyether;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgp 12177 | | aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ciglitazone | | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cirazoline | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colchicine, (+-)-isomer | | acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound | microtubule-destabilising agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cypermethrin | | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| racemethorphan | | aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibucaine | | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dilacor xr | | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| domiphen | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epirizole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethacrynic acid | | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethoxyquin | | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethoxzolamide | | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hexyloxybenzamide | | aromatic ether;
benzamides | antifungal agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluoxetine | | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gallamine triethiodide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gemfibrozil | | aromatic ether | antilipemic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| haloprogin | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ipriflavone | | aromatic ether;
isoflavones | bone density conservation agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly 171883 | | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mephenesin | | aromatic ether;
glycerol ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methocarbamol | | aromatic ether;
carbamate ester;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methoctramine | | aromatic ether;
tetramine | muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methoxsalen | | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metoprolol | | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mexiletine | | aromatic ether;
primary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midodrine | | amino acid amide;
aromatic ether;
secondary alcohol | alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clorgyline | | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nimesulide | | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nisoxetine | | aromatic ether;
secondary amino compound | adrenergic uptake inhibitor;
antidepressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| omeprazole | | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxprenolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pantoprazole | | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pentamidine | | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenacetin | | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pioglitazone | | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piretanide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pramoxine | | aromatic ether;
morpholines | local anaesthetic | 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 |
| propoxur | | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrilamine | | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfadimethoxine | | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetrahydropapaverine | | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tilorone | | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ultram | | aromatic ether;
tertiary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| viloxazine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wb 4101 | | aromatic ether;
benzodioxine;
secondary amino compound | alpha-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3',5-triiodothyropropionic acid | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methacetin | | acetamides;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mestranol | | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| visnagin | | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-tert-butyl-4-hydroxyanisole | | aromatic ether;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenetidine | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-bromophenyl phenyl ether | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| di-(4-aminophenyl)ether | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenyl ether | | aromatic ether | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diglycidyl resorcinol ether | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenetole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scoparone | | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethoxyphenylethylamine | | alkaloid;
aromatic ether;
phenylethylamine | allergen;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dichlorprop | | aromatic ether;
dichlorobenzene;
monocarboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-tert-butyl-4-hydroxyanisole | | aromatic ether;
phenols | antioxidant;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl vanillin | | aromatic ether;
benzaldehydes;
phenols | antioxidant;
flavouring agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzethonium chloride | | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| peucedanin | | aromatic ether;
furanocoumarin;
lactone | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenetidine | | aromatic ether;
primary amino compound;
substituted aniline | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxybenzoxazolinone | | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-anisidine | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| domiphen bromide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibrompropamidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-Ethoxyphenol | | aromatic ether;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bulbocapnine | | aporphine alkaloid;
aromatic ether;
oxacycle;
phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzydamine | | aromatic ether;
indazoles;
tertiary amino compound | analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xylocholine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methoxycatechol | | aromatic ether;
catechols | G-protein-coupled receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenoxypropanoic acid | | aromatic ether;
carboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxyquinoline | | aromatic ether;
quinolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metaxalone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| heliamine | | aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4,6-trichlorophenyl 4-nitrophenyl ether | | aromatic ether;
C-nitro compound;
chlorobenzenes | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etridiazol | | aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles | antifungal agrochemical;
nitrification inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toliprolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxyindoleacetic acid | | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iproclozide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenoxyacetic acid | | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nafenopin | | aromatic ether;
monocarboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl vanillate | | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxyindole-2-carboxylic acid | | aromatic ether;
indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-isopropoxyphenol | | aromatic ether;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydroemetine | | aromatic ether;
isoquinolines;
pyridoisoquinoline | antileishmanial agent;
antimalarial;
antiprotozoal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2-epoxy-3-(p-nitrophenoxy)propane | | aromatic ether;
C-nitro compound;
epoxide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| laurolitsine | | aporphine alkaloid;
aromatic ether;
phenols | HIV-1 integrase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metocurine iodide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ac 45594 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-phenoxybenzylalcohol | | aromatic ether;
benzyl alcohols | marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| devrinol | | aromatic ether;
monocarboxylic acid amide;
naphthalenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluorodifen | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acridine half-mustard | | aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound | mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| precocene i | | aromatic ether;
chromenes | plant metabolite;
precocenes | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxadiazon | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lofexidine | | aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles | alpha-adrenergic agonist;
antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylglycidyl ether | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenoxyethanol | | aromatic ether;
glycol ether;
primary alcohol | antiinfective agent;
central nervous system depressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metipranolol | | acetate ester;
aromatic ether;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silybin | | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxamethacin | | aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| canadine | | aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-ethoxycoumarin | | aromatic ether;
coumarins | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| medifoxamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlormethoxynil | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hexyloxyaniline | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ticrynafen | | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | | aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxyfluorofen | | aromatic ether | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| levobunolol | | aromatic ether;
cyclic ketone;
propanolamine | antiglaucoma drug;
beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dichlorfop-methyl | | aromatic ether;
dichlorobenzene;
diether;
methyl ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decamethrin | | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclopyr | | aromatic ether;
chloropyridine;
monocarboxylic acid | agrochemical;
environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prenalterol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| st 1059 | | aromatic ether;
primary amino compound;
secondary alcohol | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acifluorfen | | aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bopindolol | | aromatic ether;
benzoate ester;
methylindole;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenpropathrin, (+-)-isomer | | aromatic ether;
cyclopropanecarboxylate ester | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutolanil | | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenoxaprop ethyl | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclabendazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | | aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| haloxyfop | | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazifop-butyl | | aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenoxycarb | | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quizalofop-ethyl | | aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cetamolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atomoxetine | | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl bensulfuron | | aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| itraconazole | | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disoxaril | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorimuron ethyl | | aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| esmolol | | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pioglitazone hydrochloride | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aripiprazole | | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfametrole | | aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propamidine | | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexamidine | | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| o-4-methylthymine | | aromatic ether;
methylthymine | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenclofenac | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetraiodothyroacetic acid | | 2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid | apoptosis inducer;
human metabolite;
thyroid hormone | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etiroxate | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etofamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| d 888 | | aromatic ether;
nitrile;
tertiary amino compound | anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| esreboxetine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guaethol | | aromatic ether;
phenols;
volatile organic compound | flavouring agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5'-nitro-2'-propoxyacetanilide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| suberosin | | aromatic ether;
coumarins | anticoagulant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methoxyestradiol | | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols | estrogen;
human metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toltrazuril | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plafibride | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinitapride | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoscopoletin | | aromatic ether;
hydroxycoumarin | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethofenprox | | aromatic ether | pyrethroid ether insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uk 68798 | | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenoxypropazine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluphenacur | | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amezinium | | aromatic ether;
primary arylamine;
pyridazinium ion | adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin | | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triasulfuron | | 1,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound | agrochemical;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dauricine | | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uvaretin | | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fangchinoline | | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prochloraz | | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stictic acid | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pramoxine hydrochloride | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methoxybenzylamine | | aralkylamino compound;
aromatic ether;
primary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthurenic acid 8-methyl ether | | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adriamycinol | | aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones | cardiotoxic agent;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| difenoconazole | | aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| a 8947 | | aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thifluzamide | | 1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylhydrocupreine | | aromatic ether;
cinchona alkaloid | EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-dihydromethysticin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,5-dimethoxy-2-nitrobenzaldehyde | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bisphenol f diglycidyl ether | | aromatic ether;
diarylmethane;
epoxide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oryzemate | | 1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone | antifungal agrochemical;
plant activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bitertanol | | aromatic ether;
biphenyls;
secondary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazifop | | aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diflufenican | | (trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexafluoron | | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethofencarb | | aromatic ether;
carbamate ester;
carbanilate fungicide | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyriproxyfen | | aromatic ether;
pyridines | juvenile hormone mimic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate | | aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dpx e9636 | | aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinosulfuron | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clodinafop-propargyl | | aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines | agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triflusulfuron-methyl | | 1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vestitol | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | anti-inflammatory agent;
phytoalexin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| laudanine | | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cryptopleurine | | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-hydroxymethylmexiletine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxymexiletine | | aromatic ether;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloquintocet-mexyl | | aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bursehernin | | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2',4,4'-tetrabromodiphenyl ether | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allocryptopine | | aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sporidesmin | | aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | mycotoxin;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| syringaresinol | | aromatic ether;
furofuran;
lignan;
polyether;
polyphenol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| p-methoxy-n-methylphenethylamine | | aromatic ether;
secondary amino compound | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aflatoxin q1 | | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u 73122 | | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyfluthrin | | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norverapamil | | aromatic ether;
nitrile;
polyether;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumitremorgin a | | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deguelin | | aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid ii | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tephrosin | | aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
pesticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-hydroxymetoprolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(tetradecyloxy)-2-furancarboxylic acid | | aromatic ether;
furoic acid | antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tafenoquine | | (trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-hydroxymethylomeprazole | | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ym 12617 | | aromatic ether;
secondary amino compound;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgp 28392 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium-binding benzofuran isophthalate | | 1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid | fluorochrome | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| garenoxacin | | aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic | antibacterial drug;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ay 25545 | | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| reboxetine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| b 823-08 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ivabradine | | aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound | cardiotonic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| febuxostat | | 1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marsupsin | | 1-benzofurans;
aromatic ether;
polyphenol | antilipemic drug;
hypoglycemic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,6'-bieckol | | aromatic ether;
oxacycle;
phlorotannin | anti-HIV-1 agent;
metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xibenolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cicloprolol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chs 828 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-methoxyphenoxy)propanoic acid | | aromatic ether;
carboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| moxifloxacin | | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rp 73401 | | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2',4,4',5,5'-hexabrominated diphenyl ether | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| varespladib | | aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| birb 796 | | aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| schizandrin b | | aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin | anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acrovestone | | acetophenones;
aromatic ether;
olefinic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| corytuberine | | aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| actinodaphine | | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isohomovanillic acid | | aromatic ether;
phenols;
phenylacetic acids | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-diiodothyropropionic acid | | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-dihydro-5,6-dehydrokawain | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-amino-2-methoxypyrimidine | | aminopyrimidine;
aromatic ether;
methylcytosine | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid D | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myricanone | | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pannarin | | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid c | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pluviatolide | | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erysodine | | aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols | antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin B | | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly 293111 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enrasentan | | aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol | antihypertensive agent;
endothelin receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quizalofop | | aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyhalofop-butyl | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyperin | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aflatoxin b1 | | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etravirine | | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-o-methyllicoricidin | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pronuciferine | | aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dronedarone | | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| famoxadone | | aromatic ether;
carbohydrazide;
oxazolidinone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cimicoxib | | aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fonsecin | | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lasofoxifene | | aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins | antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (+-)-Dihydromethysticin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondocurine (1beta)-(+-)-isomer | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methyl-4-prop-2-enoxy-2-pyrimidinone | | aromatic ether;
pyrimidone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| noscapine | | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lariciresinol | | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tryptoquivaline | | aromatic ether;
indole alkaloid;
organic heteropentacyclic compound | breast cancer resistance protein inhibitor;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxyestrone | | 17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols | human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| win 54954 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silychristin | | 1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cleomiscosin a | | aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol | anti-inflammatory agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bispyribac | | aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines | herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| petunidin-3-glucoside | | anthocyanin cation;
aromatic ether;
beta-D-glucoside | antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| malvidin-3-glucoside | | anthocyanin cation;
aromatic ether;
beta-D-glucoside | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dioncophylline c | | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols | antimalarial;
antiplasmodial drug;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stigmatellin | | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| roflumilast | | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| teniposide | | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prinomastat | | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| posaconazole | | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gancaonin I | | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycyrin | | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyasperin D | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| licoricidin | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| egonol | | 1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-ethylharmine | | aromatic ether;
beta-carbolines;
semisynthetic derivative | anti-HIV agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 1163a | | aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol | antifungal agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 1163b | | aromatic ether;
lactam;
macrolide antibiotic | antifungal agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| licocoumarone | | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LSM-22807 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piperlactam s | | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antofine | | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthohumol | | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenoxy-N-(2-pyridinyl)butanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | aromatic ether;
pyranopyrazole | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | aromatic ether;
pyranopyrazole | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | | aromatic ether;
triazolothiadiazole | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-phenylmethoxyphenyl)thiadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyclopentyl-3-(4-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| curcumin | | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-butyl-3-(4-phenoxyphenyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-butyl-4-phenoxy-1-butanamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4-(2-methoxyphenyl)benzene-1,4-diamine | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-fluorophenoxy)-8-nitroisoquinoline | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-aminophenoxy)isophthalonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-(3-ethoxyphenoxy)butyl]imidazole | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toremifene | | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dieckol | | aromatic ether;
oxacycle;
phlorotannin | anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naproxol | | aromatic ether | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamoxifen n-oxide | | aromatic ether;
tertiary amine oxide | anti-estrogen;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diafenthiuron | | aromatic ether;
thiourea acaricide;
thiourea insecticide | oxidative phosphorylation inhibitor;
proinsecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ospemifene | | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adefovir | | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol | antimalarial;
Aspergillus metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | aromatic ether;
pyranopyrazole | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nafadotride | | aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound | dopaminergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-1,3-bis(phenylmethoxy)benzene | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide | | aromatic ether;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxypioglitazone | | aromatic ether;
pyridines;
thiazolidinediones | human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sc-19220 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile | | aromatic ether;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fraxin | | aromatic ether;
beta-D-glucoside;
hydroxycoumarin | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fraxetin | | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,6-dehydrokawain | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coniferin | | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| daphnoretin | | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kavain | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methysticin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yangonin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hinokiflavone | | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gentiacaulein | | aromatic ether;
polyphenol;
xanthones | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gentisin | | aromatic ether;
polyphenol;
xanthones | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isogentisin | | aromatic ether;
polyphenol;
xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mangostin | | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,8-dihydroxy-3,7-dimethoxyxanthone | | aromatic ether;
polyphenol;
xanthones | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| swerchirin | | aromatic ether;
phenols;
xanthones | hypoglycemic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2,8-trihydroxy-6-methoxyxanthone | | aromatic ether;
polyphenol;
xanthones | antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wedelolactone | | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyhalothrin | | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sofalcone | | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neticonazole | | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| purmorphamine | | aromatic ether;
morpholines;
purines;
secondary amino compound | osteogenesis regulator;
SMO receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 41-5253 | | aromatic ether;
benzoic acids;
sulfone;
thiochromane | apoptosis inducer;
retinoic acid receptor alpha antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycycoumarin | | aromatic ether;
coumarins;
resorcinols | antispasmodic drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoginkgetin | | aromatic ether;
biflavonoid | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neoglycyrol | | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhamnazin | | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 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 |
| bw b70c | | aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lichexanthone | | aromatic ether;
phenols;
xanthones | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alternariol monomethyl ether | | aromatic ether;
benzochromenone | antifungal agent;
fungal metabolite;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decussatin | | aromatic ether;
phenols;
xanthones | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bedaquiline | | aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound | antitubercular agent;
ATP synthase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benanomicin b | | aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pradimicin b | | aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,7-dihydroxy-4-methoxyxanthone | | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pradimicin a | | aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clodinafop | | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ici 118551 | | aromatic ether;
indanes;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ochnaflavone | | aromatic ether;
biflavonoid;
hydroxyflavone | anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavasperone | | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxycordoin | | aromatic ether;
chalcones;
polyphenol | anti-inflammatory agent;
antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-feruloylserotonin | | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tyrphostin ag825 | | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kresoxim-methyl | | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxy-3,6-diphenyl-1,2,4-triazine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piericidin a | | aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol | antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metrafenone | | aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| b 43 | | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(4-phenylbutoxy)psoralen | | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-ia-85380 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yunaconitine | | acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ru 58668 | | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| altenusin | | aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol | antifungal agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gw 501516 | | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 58-2667 | | aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound | antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camostat | | aromatic ether;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 716970 | | aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lobeglitazone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| noviflumuron | | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etomoxir | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 148083 | | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-methoxycanthin-6-one | | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sb 3ct compound | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| varespladib methyl | | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naveglitazar | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tivozanib | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ustiloxin b | | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hypothemycin | | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tryprostatin a | | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cediranib | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-iodothyronamine | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride | | aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound | antipsychotic agent;
receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubraxanthone | | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-Dihydroyangonin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch 51344 | | aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ancistroealaine a | | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes | antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tolfenpyrad | | aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide | agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SIS3 free base | | aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide | Smad3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apixaban | | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydrokavain | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| troglitazone sulfate | | aromatic ether;
thiazolidinone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arisugacin | | aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol | antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fonsecinone a | | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol | antibacterial agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| crenolanib | | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aiphanol | | aromatic ether;
benzodioxine;
lignan;
stilbenoid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nigerloxin | | aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes | antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| msdc-0160 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydroxanthohumol | | aromatic ether;
dihydrochalcones;
polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PB28 | | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-phloroeckol | | aromatic ether;
phlorotannin | antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | | aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flumorph | | aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brivanib | | aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fg-4592 | | aromatic ether;
isoquinolines;
N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| picoxystrobin | | aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cenicriviroc | | aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide | anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyceryl ferulate | | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ki 8751 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ceratamine a | | alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine | antimitotic;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay94 9172 | | (18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline | radioactive imaging agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olodaterol | | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cj-042794 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hu 308 | | aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid | anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ki11502 | | aromatic ether;
benzamides;
quinolines;
thioureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apremilast | | aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone | non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PF-00835231 | | aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | | aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chir-265 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminocandin | | aromatic ether;
echinocandin;
homodetic cyclic peptide | antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zk 756326 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 60-6583 | | aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide | adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bgt226 | | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-desmethylrosiglitazone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| verruculogen | | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-O-feruloyl-beta-D-glucose | | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2',4,5'-tetrabromodiphenyl ether | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexabromodiphenyl ether 154 | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bde 183 | | aromatic ether;
organobromine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l-798106 | | aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide | prostaglandin receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aflatoxin m1 | | aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol | Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| macitentan | | aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides | antihypertensive agent;
endothelin receptor antagonist;
orphan drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| CDN1163 | | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| e 7050 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dafadine C | | aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| violaceol II | | aromatic ether;
catechols;
resorcinols | mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pamapimod | | aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound | antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cnf 2024 | | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uk 453,061 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one | | aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| compound w | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| interiotherin b | | aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle | anti-HIV agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | | aromatic ether;
homoisoflavonoid;
polyphenol | angiogenesis modulating agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ph 797804 | | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diorcinol | | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mk 5108 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lde225 | | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines | geroprotector;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dafadine D | | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dafadine O | | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pci 32765 | | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| florbetapir f 18 | | (18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline | radioactive imaging agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AMG-208 | | aromatic ether;
quinolines;
triazolopyridazine | antineoplastic agent;
c-Met tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxyspirotryprostatin b | | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lucitanib | | aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines | antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| act-132577 | | aromatic ether;
organobromine compound;
pyrimidines;
sulfamides | antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cabozantinib | | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk 2126458 | | aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk 1363089 | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monepantel | | (trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide | anthelminthic drug;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| an2728 | | aromatic ether;
benzoxaborole;
nitrile | antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| grazoprevir | | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hordatine a | | aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols | adrenergic antagonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kavain | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lrrk2-in1 | | aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinolobactin | | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AZD1979 | | aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes | melanin-concentrating hormone receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aripiprazole lauroxil | | aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xl765 | | aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DMH1 | | aromatic ether;
pyrazolopyrimidine;
quinolines | antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propenylphosphonic acid | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abt-333 | | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naloxegol | | aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol | cathartic;
mu-opioid receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MK-8353 | | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| HG-10-102-01 | | aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| saroglitazar | | aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles | hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fertaric acid | | aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DDR1-IN-1 | | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MLI-2 | | aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ap20187 | | aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound | ligand | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methysticin | | 2-pyranones;
aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biliatresone | | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tak 491 | | 1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane | angiotensin receptor antagonist;
antihypertensive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azilsartan | | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrazinocurcumin | | aromatic ether;
olefinic compound;
polyphenol;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mirodenafil | | aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulomycin | | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| undecylprodigiosin | | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sb-590885 | | aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | | aromatic ether | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PF-07304814 | | aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sk&f-38393 | | benzazepine;
catechols;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monomethylpropion | | aromatic ketone;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acebutolol | | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| albuterol | | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alminoprofen | | amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alprenolol | | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 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 |
| benzylhydrochlorothiazide | | benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| betahistine | | aminoalkylpyridine;
secondary amino compound | H1-receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carvedilol | | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent | 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 |
| clenbuterol | | amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| desipramine | | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diclofenac | | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenfluramine | | (trifluoromethyl)benzenes;
secondary amino compound | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| berotek | | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formoterol fumarate | | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | | 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 |
| guazatine | | aliphatic nitrogen antifungal agent;
guanidines;
secondary amino compound | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guvacine | | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | | bromobenzenes;
isoquinolines;
olefinic compound;
secondary amino compound;
sulfonamide | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor | 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 |
| isoproterenol | | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| labetalol | | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meclofenamic acid | | aminobenzoic acid;
organochlorine compound;
secondary amino compound | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mefenamic acid | | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metaproterenol | | aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1), n(12)-diethylspermine | | polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenamic acid | | aminobenzoic acid;
secondary amino compound | membrane transport modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxamniquine | | aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 158780 | | aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| practolol | | acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propafenone | | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salmeterol xinafoate | | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sotalol | | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xylazine | | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylephrine | | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,n'-diphenyl-4-phenylenediamine | | N-substituted diamine;
secondary amino compound | antioxidant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl n-methylanthranilate | | benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline | animal metabolite;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pseudoephedrine | | phenylethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propylhexedrine | | secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-aminodiphenylamine | | aromatic amine;
secondary amino compound | allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopentamine | | secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzonatate | | benzoate ester;
secondary amino compound;
substituted aniline | anaesthetic;
antitussive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diisopropanolamine | | aminodiol;
secondary alcohol;
secondary amino compound | buffer;
emulsifier;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meglumine | | hexosamine;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytisine | | alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound | nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| octamylamine | | secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| noramidopyrine | | pyrazoles;
secondary amino compound | antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphenylamine | | aromatic amine;
bridged diphenyl fungicide;
secondary amino compound | antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spectinomycin | | cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isometheptene | | secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylaspartate | | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colterol | | catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| du-21220 | | benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amoscanate | | C-nitro compound;
isothiocyanate;
secondary amino compound | schistosomicide drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norflurazone | | (trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound | agrochemical;
carotenoid biosynthesis inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amineptin | | amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound | antidepressant;
dopamine uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bitolterol | | carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pendimethalin | | C-nitro compound;
secondary amino compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bupirimate | | aminopyrimidine;
pyrimidine fungicide;
secondary amino compound;
sulfamate ester | androgen antagonist;
antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| torsemide | | aminopyridine;
N-sulfonylurea;
secondary amino compound | antihypertensive agent;
loop diuretic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ractopamine | | benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| temafloxacin | | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plerixafor | | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sertraline | | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nebivolol | | chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aceclofenac | | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubulosine | | beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(methylamino)isobutyric acid | | alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound | human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| caldopentamine | | polyazaalkane;
primary amino compound;
secondary amino compound | marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mepanipyrim | | acetylenic compound;
aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
hepatotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyprodinil | | aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrimethanil | | aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile | | dimethoxybenzene;
nitrile;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylisopropyladenosine | | aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound | adenosine A1 receptor agonist;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,4-methylenedioxyethamphetamine | | benzodioxoles;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-n-methylamino-l-alanine | | diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound | bacterial metabolite;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nopaline | | amino acid opine;
D-glutamic acid derivative;
guanidines;
L-arginine derivative;
secondary amino compound;
tricarboxylic acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| octopine | | amino acid opine;
amino dicarboxylic acid;
D-alpha-amino acid zwitterion;
D-arginine derivative;
guanidines;
secondary amino compound | animal metabolite;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-hydroxydiclofenac | | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mannopine | | amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ezogabine | | carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline | anticonvulsant;
potassium channel modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aj 76 | | secondary amino compound;
tetralins | dopaminergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 224070 | | 1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| als 8123 | | carboxylic acid;
ethanolamines;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-nitrobenzoxadiazole-6-aminohexanoic acid | | benzoxadiazole;
C-nitro compound;
epsilon-amino acid;
secondary amino compound | fluorochrome | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane | | secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cox 189 | | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinacalcet | | (trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound | calcimimetic;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guvacoline | | alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | muscarinic agonist;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baeocystin | | organic phosphate;
secondary amino compound;
tryptamine alkaloid | fungal metabolite;
hallucinogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dizocilpine | | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| melagatran | | azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-putrescinylthymine | | N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-morpholinoanilino)-6-cyclohexylaminopurine | | morpholines;
purines;
secondary amino compound;
tertiary amino compound | adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| demecolcine | | alkaloid;
secondary amino compound | antineoplastic agent;
microtubule-destabilising agent | 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 |
| norbelladine | | catechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| e 3040 | | benzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound | anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| E3040 glucuronide | | benzothiazoles;
beta-D-glucosiduronic acid;
pyridines;
secondary amino compound | xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| validamycin a | | antibiotic fungicide;
polyol;
secondary amino compound;
validamycins | antifungal agrochemical;
EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor;
EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ergonovine | | ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | diagnostic agent;
fungal metabolite;
oxytocic;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one | | benzoic acids;
primary alcohol;
pyrrolidin-2-ones;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tolfenamic acid | | aminobenzoic acid;
organochlorine compound;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 1033 | | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loline | | loline alkaloid;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amn082 | | benzenes;
diamine;
diarylmethane;
secondary amino compound | metabotropic glutamate receptor agonist;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiraprilat | | azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-hydroxydiclofenac | | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dasatinib | | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| noribogaine | | monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound | kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | | organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,o-didesmethylvenlafaxine | | cyclohexanols;
phenols;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-desmethylvenlafaxine | | cyclohexanols;
monomethoxybenzene;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chanoclavine | | benzoindole;
ergot alkaloid;
organic heterotricyclic compound;
primary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound | Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spirapril | | azaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trandolaprilat | | dicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amocarzine | | C-nitro compound;
N-methylpiperazine;
secondary amino compound;
thioureas | antinematodal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidapril | | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidaprilat | | dicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound | antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ximelagatran | | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trandolapril | | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| robenacoxib | | aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tanespimycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indacaterol | | indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| panobinostat | | cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound | angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bis(7)-tacrine | | secondary amino compound | apoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| r 115866 | | aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dysiherbaine | | amino dicarboxylic acid;
furopyran;
hydroxy carboxylic acid;
secondary amino compound | animal metabolite;
excitatory amino acid agonist;
marine metabolite;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cangrelor | | adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound | P2Y12 receptor antagonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mocetinostat | | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ticagrelor | | aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines | P2Y12 receptor antagonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rucaparib | | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chir 99021 | | aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vilanterol | | benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-epi-fagomine | | amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol | EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethaboxam | | 1,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| validoxylamine a | | amino cyclitol;
secondary amino compound | animal metabolite;
antibiotic insecticide;
bacterial metabolite;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| finafloxacin | | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sarpagine | | indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vizamyl | | (18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound | radioactive imaging agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pevonedistat | | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tg101209 | | N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | | aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound | anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entrectinib | | benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pexidartinib | | aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (R)-DRF053 | | 2,6-diaminopurines;
phenylpyridine;
primary alcohol;
secondary amino compound | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cblc137 | | aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mephedrone | | amphetamines;
aromatic ketone;
secondary amino compound | environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml228 probe | | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chir 98014 | | aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AZD3463 | | aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML355 | | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| osimertinib | | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| as 1842856 | | organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound | anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hg-9-91-01 | | aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound | antineoplastic agent;
salt-inducible kinase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysopine | | amino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enasidenib | | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| BDA-366 | | anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| THZ531 | | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indolmycin | | 1,3-oxazoles;
indoles;
secondary amino compound | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethirimol | | aminopyrimidine;
pyrimidine fungicide;
pyrimidone;
secondary amino compound | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-hydroxy-2-(di-n-propylamino)tetralin | | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sk&f 77434 | | benzazepine;
catechols;
tertiary amino compound | dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 173074 | | aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylisopropylamiloride | | aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound | anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amiodarone | | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antazoline | | aromatic amine;
imidazolines;
tertiary amino compound | cholinergic antagonist;
H1-receptor antagonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benefin | | C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound | agrochemical;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromhexine | | organobromine compound;
substituted aniline;
tertiary amino compound | mucolytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromodiphenhydramine | | organobromine compound;
tertiary amino compound | antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bupivacaine | | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorambucil | | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| citalopram | | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clofedanol | | diarylmethane;
tertiary amino compound | antitussive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopentolate | | carboxylic ester;
tertiary alcohol;
tertiary amino compound | diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphenhydramine | | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disopyramide | | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-phenyl-2-palmitoylamino-3-morpholino-1-propanol | | benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxepin | | dibenzooxepine;
tertiary amino compound | antidepressant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| profenamine | | phenothiazines;
tertiary amino compound | adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vanoxerine | | ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound | dopamine uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gbr 12935 | | ether;
N-alkylpiperazine;
tertiary amino compound | dopamine uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lidocaine | | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isothipendyl | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meperidine | | ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound | antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mesoridazine | | phenothiazines;
sulfoxide;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methadone | | benzenes;
diarylmethane;
ketone;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methiothepin | | aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| minoxidil | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monodansylcadaverine | | aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mosapramine | | azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nefopam | | benzoxazocine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nicardipine | | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nizatidine | | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orphenadrine | | ether;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benoxinate | | amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound | drug allergen;
local anaesthetic;
topical anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxybutynin | | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pheniramine | | pyridines;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipamperone | | aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piromidic acid | | monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound | antibacterial drug;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pj-34 | | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| procaine | | benzoate ester;
substituted aniline;
tertiary amino compound | central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propiomazine | | aromatic ketone;
phenothiazines;
tertiary amino compound | dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| psilocin | | hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid | drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol | | benzazepine;
organochlorine compound;
tertiary amino compound | dopaminergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| setiptiline | | tertiary amino compound;
tetracyclic antidepressant | alpha-adrenergic antagonist;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sibutramine | | organochlorine compound;
tertiary amino compound | anti-obesity agent;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetracaine | | benzoate ester;
tertiary amino compound | local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosufloxacin | | 1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | | N-substituted diamine;
pyridines;
tertiary amino compound | apoptosis inducer;
chelator;
copper chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trimethobenzamide | | benzamides;
tertiary amino compound | antiemetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trimipramine | | dibenzoazepine;
tertiary amino compound | antidepressant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| venlafaxine | | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zotepine | | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phentolamine | | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vincristine | | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminopyrine | | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetrabenazine | | benzoquinolizine;
cyclic ketone;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acepromazine | | aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound | phenothiazine antipsychotic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| egtazic acid | | diether;
tertiary amino compound;
tetracarboxylic acid | chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gramine | | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thenyldiamine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(dimethylamino)benzaldehyde | | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-diethylaminoethanol | | ethanolamines;
primary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triethanolamine | | amino alcohol;
tertiary amino compound;
triol | buffer;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-nitrosodimethylaniline | | dimethylaniline;
nitroso compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triethylenediamine | | bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound | antioxidant;
catalyst;
reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galantamine | | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-erythroidine | | delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | muscle relaxant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| psilocybin | | organic phosphate;
tertiary amino compound;
tryptamine alkaloid | fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neutral red base | | aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound | acid-base indicator;
dye;
two-colour indicator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-dimethylaminopyridine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prothipendyl | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dymanthine | | tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucine | | aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound | antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyphosphine | | glycine derivative;
phosphonic acids;
tertiary amino compound | plant growth retardant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| c.i. solvent yellow 56 | | azobenzenes;
substituted aniline;
tertiary amino compound | dye;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-dimethylaminophenol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl 4-dimethylaminobenzoate | | benzoate ester;
ethyl ester;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mopidamol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thenalidine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oryzalin | | aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound | agrochemical;
antimitotic;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pirimicarb | | aminopyrimidine;
carbamate ester;
tertiary amino compound | agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydro-beta-erythroidine | | delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound | nicotinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propamocarb | | carbamate ester;
carbamate fungicide;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tridemorph | | morpholines;
tertiary amino compound | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amitraz | | formamidines;
tertiary amino compound | acaricide;
environmental contaminant;
insecticide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butaclamol | | amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound | dopaminergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | | isoquinolinol;
tertiary amino compound | human metabolite;
neurotoxin;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vx | | organic thiophosphate;
tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vindesine | | methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loceryl | | morpholine antifungal drug;
tertiary amino compound | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mifepristone | | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carmoxirole | | indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine | antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naxagolide | | organic heterotricyclic compound;
phenols;
tertiary amino compound | anticonvulsant;
antiparkinson drug;
dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiagabine | | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| irinotecan | | carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acridine orange | | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nelfinavir | | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nile red | | aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound | fluorochrome;
histological dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cephalotaxine | | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(diethylamino)benzaldehyde | | aromatic amine;
benzaldehydes;
tertiary amino compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propildazine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| voacamine | | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rivastigmine | | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethylformamide-dimethylacetal | | acetal;
tertiary amino compound | chromatographic reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-(dimethylamino)propyl)methacrylamide | | tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,n-diisopropylethylamine | | tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiroxamine | | dioxolane;
spiroketal;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mor-14 | | hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound | anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ecgonine methyl ester | | methyl ester;
tertiary amino compound;
tropane alkaloid | analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ecteinascidin 743 | | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aporphine | | aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| efonidipine | | C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide | | benzenes;
coumarins;
maleimides;
tertiary amino compound | fluorescent dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| desvenlafaxine | | cyclohexanols;
phenols;
tertiary amino compound | antidepressant;
drug metabolite;
marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xaliproden | | (trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine | serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ulipristal acetate | | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound | contraceptive drug;
progesterone receptor modulator;
progestin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr 57227a | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,8-dinitroimipramine | | C-nitro compound;
dibenzoazepine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sk&f 83959 | | benzazepine;
catechols;
organochlorine compound;
tertiary amino compound | dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,6-didehydrosparteine | | organic heterotetracyclic compound;
quinolizidine alkaloid;
tertiary amino compound | human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stephenanthrine | | cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydromethylthionine | | aromatic amine;
phenothiazines;
tertiary amino compound | bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nbi 27914 | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| top 53 | | furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antalarmin | | pyrrolopyrimidine;
tertiary amino compound | corticotropin-releasing factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vincaleukoblastine | | acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azaleucine | | alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gant 61 | | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| conessine | | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rocuronium | | 3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound | drug allergen;
muscle relaxant;
neuromuscular agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deltaline | | acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxyacanthine | | bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colforsin daropate | | acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound | adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cocaine | | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| afimoxifene | | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-nonyl-1-deoxynojirimycin | | hydroxypiperidine;
tertiary amino compound | antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylproline | | L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound | human metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiamulin | | carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid | antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[4-(diethylamino)phenyl]-N'-phenylurea | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | | morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tamoxifen | | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wiskostatin | | carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ranitidine | | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stenusin | | piperidine alkaloid;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(1-azepanyl)-1,3,4-thiadiazol-2-amine | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine | | aromatic amine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly 367265 | | dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline | antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mycophenolate mofetil | | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cassaine | | enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid | antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| josamycin | | acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound | antibacterial drug;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetylspiramycin | | acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n,n-dimethylsphingenine | | aminodiol;
sphingoid;
tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| morphine | | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 11652 | | olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| catharanthine | | alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oripavine | | ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound | bacterial xenobiotic metabolite;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinanserin | | aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DPI2 | | benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone | ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | | organoiodine compound;
phenols;
tertiary amino compound;
tetralins | dopamine agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sdz eaa 494 | | monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound | anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| demycarosylturimycin h | | aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eaa-090 | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| muromonab-cd3 | | alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| px-866 | | acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pi103 | | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selexipag | | aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound | orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tofacitinib | | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mre 269 | | aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound | drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| NNC 55-0396 (free base) | | benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pateamine a | | 1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound | antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| edoxaban | | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| akuammicine | | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | | alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound | anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ku 0063794 | | benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flupyradifurone | | butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound | insecticide;
nicotinic acetylcholine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoylaconine | | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyaconitine | | acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vindolinine | | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tenovin-6 | | monocarboxylic acid amide;
tertiary amino compound;
thioureas | antineoplastic agent;
p53 activator;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoylmesaconine | | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | analgesic;
antiinfective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch772984 | | biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide | analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubastatin a | | hydroxamic acid;
pyridoindole;
tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pracinostat | | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delgocitinib | | azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide | anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 956980 | | N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol | | dialkylarylamine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | | hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |