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Gene Set: D4 : TTD - CI-976


Collection D4 : TTD
Chemical Name CI-976 ( From PubChem : 2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
393.56 g/mol 1 5 6.2809 False(3/4)
Structure
InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
InChIKey WAFNZAURAWBNDZ-UHFFFAOYSA-N
Links

Gene (5 / 7)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCES1Research target
PubChem PotencyuM7.943CYP3A4-GI(Protien) :
PubChem NoneuMEZH2-GI(Protien) :
PubChem PotencyuM10.000TDP1-GI(Protien) :
PubChem PotencyuM10.000TDP1-GI(Protien) :
PubChem PotencyuM44.668USP1-GI(Protien) :
ChEMBLPotencynM7943.300CYP3A4
-Target : CHEMBL340
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