Table 5.
Comparison between the subset model A01010000000111and the Hershberger database results for antagonist mode.
| CASRN | Name | AUC Antagonista | AR Model AC50 (uM)b | AR Model POD (mg/kg/day)c | HB POD (mg/kg/day)d | HB In Vitro AC50 (uM)e | Cavg | AR Model Callf | HB DB Callg | Notes |
|---|---|---|---|---|---|---|---|---|---|---|
| 22248–79–9 | Z-Tetrachlorvinphos | 0.16 | 62.7 | 0.3 | >350 | >1000 | 324.27 | positive | negative | in vitro model active only near top of range tested |
| 133–07–3 | Folpet | 0.15 | 66.4 | 0.1 | >800 | >1000 | 13.86 | positive | negative | in vitro model active only near top of range tested |
| 113–48–4 | Octylbicycloheptenedicarboximide | 0.13 | 89.3 | 2.1 | >850 | >12.0 | 2.39 | positive | negative | in vitro model active only near top of range tested |
| 1897–45–6 | Chlorothalonil | 0.66 | 1.0 | 3.0 | >1000 | 0.1 | 0.84 | positive | negative | 1 negative HB study |
| 71751–41–2 | Abamectin | 0.45 | 5.0 | 7.7 | >5 | 4.8 | 0.48 | positive | negative | 1 negative HB study |
| 13311–84–7 | Flutamide | 0.54 | 2.5 | 37.7 | 0.1 | 1.6 | 0.32 | positive | antiandrogenic | agree positive |
| 50471–44–8 | Vinclozolin | 0.49 | 3.7 | 4.2 | 10 | 9.7 | 3.24 | positive | antiandrogenic | agree positive |
| 72–55–9 | p,p’-DDE | 0.34 | 12.1 | 37.8 | 5 | 3.6 | 0.36 | positive | antiandrogenic | agree positive |
| 32809–16–8 | Procymidone | 0.33 | 13.7 | 9.5 | 3 | 89.0 | 1.78 | positive | antiandrogenic | agree positive |
| 330–55–2 | Linuron | 0.33 | 13.8 | 0.4 | 10 | 1.0 | 125.00 | positive | antiandrogenic | agree positive |
| 67747–09–5 | Prochloraz | 0.30 | 17.0 | 20.5 | 50 | >240.3 | 20.03 | positive | antiandrogenic | agree positive |
| 98319–26–7 | Finasteride | 0.18 | 50.5 | 6.2 | 0.008 | >705.9 | 70.59 | positive | antiandrogenic | agree positive |
| 2921–88–2 | Chlorpyrifos | 0.04 | 409.8 | 144.1 | >12 | >2.1 | 6.94 | negative | negative | agree negative |
| 51–28–5 | 2,4-Dinitrophenol | 0.04 | 435.2 | 0.2 | >10 | >1000 | 6387.50 | negative | negative | agree negative |
| 61–82–5 | Amitrole | 0 | 1000.0 | 356.4 | >1000 | >1000 | 2.81 | negative | negative | agree negative |
| 1563–66–2 | Carbofuran | 0 | 1000.0 | 363.0 | >0.3 | >0.7 | 2.75 | negative | negative | agree negative |
| 66230–04–4 | Esfenvalerate | 0 | 1000.0 | 1339.2 | >9 | >123.4 | 0.75 | negative | negative | agree negative |
| 66332–96–5 | Flutolanil | 0 | 1000.0 | 648.2 | >1000 | >1.2 | 1.54 | negative | negative | agree negative |
| 57837–19–1 | Metalaxyl | 0 | 1000.0 | 408.4 | >375 | 60.1 | 2.45 | negative | negative | agree negative |
| 16752–77–5 | Methomyl | 0 | 1000.0 | 299.6 | >1 | 9.2 | 3.34 | negative | negative | agree negative |
| 21087–64–9 | Metribuzin | 0 | 1000.0 | 1089.4 | >80 | 41.9 | 0.92 | negative | negative | agree negative |
| 23135–22–0 | Oxamyl | 0 | 1000.0 | 120.0 | >0.5 | 13.3 | 2.79 | negative | negative | agree negative |
| 68359–37–5 | Cyfluthrin | 0 | 1000.0 | 1206.1 | 18 | 59.0 | 0.83 | negative | antiandrogenic | 2 negative HB studies, one positive |
| 52645–53–1 | Permethrin | 0 | 1000.0 | 1694.9 | 10 | 930.6 | 0.59 | negative | antiandrogenic | 2 negative HB studies, one positive |
| 2312–35–8 | Propargite | 0.005 | 335.0 | 33.1 | 15 | 162.5 | 4.65 | negative | antiandrogenic | 1 positive HB study |
| 13194–48–4 | Ethoprop | 0 | 1000.0 | 549.7 | 16 | 747.5 | 0.32 | negative | antiandrogenic | 1 positive HB study |
| 117–81–7 | Di (2-ethylhexyl) phthalate | 0.005 | 1000.0 | 1694.9 | 100 | 59.0 | 0.59 | negative | antiandrogenic | chemical does not act through AR |
| 60168–88–9 | Fenarimol | 0.08 | 154.2 | 33.1 | 200 | 930.6 | 4.65 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 51218–45–2 | Metolachlor | 0.08 | 178.6 | 549.7 | 500 | 162.5 | 0.32 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 84–74–2 | Dibutyl phthalate | 0 | 1000.0 | 668.9 | 500 | 747.5 | 1.49 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 1861–40–1 | Benfluralin | 0.003 | 1000.0 | 176.7 | 750 | 4245.0 | 5.66 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 36734–19–7 | Iprodione | 0 | 1000.0 | 104.9 | 200 | 1906.0 | 9.53 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 27314–13–2 | Norflurazon | 0 | 1000.0 | 2307.8 | 1000 | 433.3 | 0.43 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 23950–58–5 | Propyzamide | 0 | 1000.0 | 315.0 | 200 | 634.8 | 3.17 | negative | antiandrogenic | in vitro HB AC50 > range tested |
| 1582–09–8 | Trifluralin | 0.004 | 1000.0 | 1887.1 | 450 | 238.5 | 0.53 | negative | antiandrogenic | in vitro HB AC50 > range tested |
Notes:
a
AUC Antagonist from this subset model.
b
The nominal potency values (AC50) calculated using the AUC Antagonist value and the calibration curve.
c
The in vitro to in vivo extrapolation point of departure = AC50/Css.
d
The minimum LOEL for the chemical in the Hershberger database.
e
The in vitro equivalent potency for the Hershberger result = HB POD x Css.
f
The result is positive if AUC Antagonist ≥ 0.1 and negative otherwise.
g
Classification of Hershberger activity from (Kleinstreuer et al., 2018).