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Gene Set: D4 : Boss - lopac-p-7561

Collection D4 : Boss
Chemical Name lopac-p-7561 ( From PubChem : PHENTOLAMINE MESYLATE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
377.458 g/mol 3 6 3.1896 True
Structure
InChI InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
InChIKey OGIYDFVHFQEFKQ-UHFFFAOYSA-N
Links

Gene (11 / 17)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
BOSSText MiningABAT
BOSSText MiningACOX2
BOSSText MiningATP8A2
BOSSText MiningDDR2
BOSSText MiningINS
PubChem PotencyuM3.162CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
PubChem NoneuMDRD3-GI(Protien) :
PubChem NoneuMGFER-GI(Protien) :
PubChem PotencyuM0.282KCNH2GI(Protien) :
PubChem PotencyuM0.282KCNH2GI(Protien) :
PubChem NoneuMMAP3K3-GI(Protien) :
PubChem PotencyuM7.308NFE2L2-GI(Protien) :
PubChem PotencyuM10.322NFE2L2-GI(Protien) :
ChEMBLAC50nM3162.280CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM3162.300CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM7307.800NFE2L2
-Target : CHEMBL1075094
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