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Gene Set: D4 : CTD - 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate

Collection D4 : CTD
Chemical Name 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate ( From PubChem : 8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
395.533 g/mol 0 6 4.5516 True
Structure
InChI InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3
InChIKey IBQMHBGFMLHHLE-UHFFFAOYSA-N
Links

Gene (4 / 9)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDdecreases(reaction)CYP1B1
C006014
CTDincreases(expression)CYP1B1
C006014
CTDdecreases(reaction)PTGS2
C006014
CTDincreases(expression)PTGS2
C006014
PubChem PotencyuM31.623CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
PubChem PotencyuM21.680TDP1-GI(Protien) :
ChEMBLAC50nM31622.800CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM31622.800CYP2D6
-Target : CHEMBL289
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