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Gene Set: D4 : Boss - nitrotalans

Collection D4 : Boss
Chemical Name nitrotalans ( From PubChem : PENTAERYTHRITOL TETRANITRATE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
316.137 g/mol 0 0 0.8988 True
Structure
InChI InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
InChIKey TZRXHJWUDPFEEY-UHFFFAOYSA-N
Links

Gene (5 / 6)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
BOSSText MiningALDH1B1
BOSSText MiningHMOX1
BOSSText MiningTNNT1
PubChem PotencyuM1.585ALDH1A1-GI(Protien) :
PubChem Ratio Potency (uM)uM12.942AR-GI(Protien) :
ChEMBLPotencynM1584.900ALDH1A1
-Target : CHEMBL3577
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