Drug metabolism (ADMET)
|
= 1 %
|
Drug metabolism in yeast cells expressing human CYP3A4 assessed as human CYP3A4-mediated metabolite-M4 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Drug metabolism (ADMET)
|
= 1 %
|
Drug metabolism in yeast cells expressing human CYP2C19 assessed as human CYP2C19-mediated metabolite-M5 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Drug metabolism (ADMET)
|
= 3 %
|
Drug metabolism in yeast cells expressing human CYP2C19 assessed as human CYP2C19-mediated metabolite-M2 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Drug metabolism (ADMET)
|
= 15 %
|
Drug metabolism in yeast cells expressing human CYP3A4 assessed as human CYP3A4-mediated metabolite-M3 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Drug metabolism (ADMET)
|
= 22 %
|
Drug metabolism in yeast cells expressing human CYP2C19 assessed as human CYP2C19-mediated metabolite-M1 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Drug metabolism (ADMET)
|
= 24 %
|
Drug metabolism in yeast cells expressing human CYP3A4 assessed as human CYP3A4-mediated metabolite-M1 formation by measuring compound production ratio at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
EC50 (binding)
|
= 5.18
|
Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay
|
ChEMBL.
|
20672340
|
EC50 (binding)
|
= 6.28
|
Agonist activity at ecdysone receptor in Drosophila melanogaster B2 cells assessed as reduction in cell density
|
ChEMBL.
|
20672340
|
EC50 (binding)
|
= 8.66
|
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay
|
ChEMBL.
|
20069627
|
EC50 (binding)
|
= 8.91
|
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay
|
ChEMBL.
|
20672340
|
EC50 (binding)
|
= 8.95
|
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay
|
ChEMBL.
|
20069627
|
Efficacy (binding)
|
= 52 %
|
Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells at 10 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone
|
ChEMBL.
|
20672340
|
Efficacy (binding)
|
= 100 %
|
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide
|
ChEMBL.
|
20069627
|
Efficacy (binding)
|
= 100 %
|
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide
|
ChEMBL.
|
20069627
|
FC (binding)
|
= 0.8
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 1.13
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-456) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 1.73
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-476) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 5.05
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-468) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 14.5
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 42.2
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (456-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 57
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-476) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 113
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in AB zebrafish embryos transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (468-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 114
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-468) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 139
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (413-456) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 880
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (468-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
FC (binding)
|
= 1420
|
Activation of Bombyx mori Ecdysone receptor (amino acids 272-606) expressed in HEK293 cells transfected with cytomegalovirus promoter-driven expression construct encoding chimeric transactivator composed of DBD and homodimerization domains of yeast Gal4 (amino acids 1-146) and VP16 activation domain (amino acids (456-490) at 10 uM exposed for 16 hrs by Gal4 dependent luciferase reportre gene assay relative to untreated control
|
ChEMBL.
|
17237798
|
IC50 (binding)
|
= 20 uM
|
Displacement of [3H]PonA from recombinant Nezara viridula EcR10
|
ChEMBL.
|
21594962
|
IC50 (binding)
|
= 21.5 uM
|
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubated for 30 mins followed by quinidine addition to apical side measured after 60 mins
|
ChEMBL.
|
27262425
|
IC50 (binding)
|
= 28 uM
|
Displacement of [3H]PonA from recombinant Nezara viridula EcR11
|
ChEMBL.
|
21594962
|
Inhibition (binding)
|
= 53.3 %
|
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side at 30 uM preincubated for 30 mins followed by quinidine addition to apical side measured after 60 mins
|
ChEMBL.
|
27262425
|
Ki (binding)
|
> 3.3
|
Binding affinity to Bemisia tabaci (sweet potato whitefly) ecdysone receptor (EcR)
|
ChEMBL.
|
21594962
|
Ki (binding)
|
> 3.9
|
Binding affinity to Myzus persicae EcR (green peach aphid)
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 4
|
Binding affinity to Locusta migratoria ecdysone receptor (EcR)
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 4.6
|
Binding affinity to Nezara viridula EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 4.6
|
Binding affinity to Nezara viridula EcR11
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 4.7
|
Binding affinity to Nezara viridula EcR10
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 4.9
|
Binding affinity to Anthonomus grandis ecdysone receptor (EcR)
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 5.6
|
Binding affinity to Leptinotarsa decemlineata EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 6.6
|
Binding affinity to Drosophila melanogaster EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 6.8
|
Binding affinity to Lucilia cuprina EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 7.6
|
Binding affinity to Aedes aegypti EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 8
|
Binding affinity to Chironomus tentans EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 8.5
|
Binding affinity to Plodia interpunctella (Indian meal moth ) EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 8.5
|
Binding affinity to Heliothis virescens (tobacco budworm) EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 8.9
|
Binding affinity to Chilo suppressalis (rice stem borer) EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 9.3
|
Binding affinity to Choristoneura fumiferana EcR
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 16.8 uM
|
Displacement of [3H]PonA from recombinant Nezara viridula EcR10
|
ChEMBL.
|
21594962
|
Ki (binding)
|
= 23.9 uM
|
Displacement of [3H]PonA from recombinant Nezara viridula EcR11
|
ChEMBL.
|
21594962
|
Km (ADMET)
|
= 1.7 uM
|
Drug metabolism in yeast cells expressing human CYP2C19 assessed as human CYP2C19-mediated metabolite-M1 formation at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Km (ADMET)
|
= 6.8 uM
|
Drug metabolism in yeast cells expressing human CYP3A4 assessed as human CYP3A4-mediated metabolite-M1 formation at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
LC50 (functional)
|
= 1.59 mg/L
|
Larvicidal activity against Oriental armyworm
|
ChEMBL.
|
17897833
|
LogP |
= 4.25
|
Partition coefficient, log P of the compound
|
ChEMBL.
|
17418579
|
LogP app (ADMET)
|
= -4.8
|
Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA
|
ChEMBL.
|
17418579
|
LogP app (ADMET)
|
= -4.44
|
Permeability from apical to basolateral side of the Caco2 cell membrane
|
ChEMBL.
|
17418579
|
LogP app (ADMET)
|
= -4.39
|
Permeability from basolateral to apical side of the Caco2 cell membrane
|
ChEMBL.
|
17418579
|
Papp (ADMET)
|
= 15.74 10^-6 cm/s
|
Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA
|
ChEMBL.
|
17418579
|
Potency (ADMET)
|
= 3.9811 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]
|
ChEMBL.
|
No reference
|
Potency (ADMET)
|
= 3.9811 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
8.9125 uM
|
PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
48.9662 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
61.1306 uM
|
PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
68.5896 uM
|
PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
68.5896 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
R% (ADMET)
|
= 3 %
|
Membrane retention of the compound in permeability experiment with artificial membrane
|
ChEMBL.
|
17418579
|
Vmax (ADMET)
|
= 2.1 mol/min
|
Drug metabolism in yeast cells expressing human CYP2C19 assessed as human CYP2C19-mediated metabolite-M1 formation per mol of protein at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|
Vmax (ADMET)
|
= 12.7 mol/min
|
Drug metabolism in yeast cells expressing human CYP3A4 assessed as human CYP3A4-mediated metabolite-M1 formation per mol of protein at 200 uM pre-incubated for 2 mins at 37 degC before NADPH addition by LC/MS method
|
ChEMBL.
|
26404412
|