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Gene Set: D4 : CTD - entacapone

Collection D4 : CTD
Chemical Name entacapone ( From PubChem : 2-PROPENAMIDE, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N,N-DIETHYL- )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
305.286 g/mol 2 5 2.30458 True
Structure
InChI InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
InChIKey JRURYQJSLYLRLN-BJMVGYQFSA-N
Links

Gene (11 / 15)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDdecreases(abundance)COMT
C071192
CTDdecreases(activity)COMT
C071192
CTDincreases(abundance)COMT
C071192
CTDaffects(binding)SNCA
C071192
CTDdecreases(reaction)SNCA
C071192
CTDincreases(glucuronidation)UGT1A1
C071192
CTDincreases(glucuronidation)UGT1A10
C071192
CTDincreases(glucuronidation)UGT1A3
C071192
CTDincreases(glucuronidation)UGT1A7
C071192
CTDincreases(glucuronidation)UGT1A8
C071192
CTDdecreases(glucuronidation)UGT1A9
C071192
CTDincreases(glucuronidation)UGT1A9
C071192
PubChem Ratio Potency (uM)uM26.601HSPB1-GI(Protien) :
PubChem Ratio Potency (uM)uM16.152NFE2L2-GI(Protien) :
PubChem PotencyuM6.702POLK-GI(Protien) :
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