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Gene Set: D4 : Boss - rcra waste number u223

Collection D4 : Boss
Chemical Name rcra waste number u223 ( From PubChem : 2,4-DIISOCYANATO-1-METHYLBENZENE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
174.156 g/mol 0 4 1.9296 True
Structure
InChI InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
InChIKey DVKJHBMWWAPEIU-UHFFFAOYSA-N
Links

Gene (7 / 14)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
BOSSText MiningALB
BOSSText MiningIL4
BOSSText MiningTLX1NB
PubChem Potency-Replicate_1uM1.084AHR-GI(Protien) :
PubChem AhR Potency (uM)uM8.609AHR-GI(Protien) :
PubChem AhR Potency (uM)uM19.077AHR-GI(Protien) :
PubChem Potency-Replicate_1uM24.956AHR-GI(Protien) :
PubChem AhR Potency (uM)uM28.924AHR-GI(Protien) :
PubChem PotencyuM15.849CYP3A4-GI(Protien) :
PubChem Potency-Replicate_1uM21.816ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM36.632ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM54.316ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM37.119NFE2L2-GI(Protien) :
ChEMBLPotencynM15848.900CYP3A4
-Target : CHEMBL340
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