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Gene Set: D4 : TTD - E-4031

Collection D4 : TTD
Chemical Name E-4031 ( From PubChem : E-4031 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
401.522 g/mol 1 6 3.9906 True
Structure
InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
InChIKey SRUISGSHWFJION-UHFFFAOYSA-N
Links

Gene (3 / 9)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorKCNH2Successful target
PubChem PotencyuM7.943CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM1.995CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
ChEMBLAC50nM7943.280CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM7943.300CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM1995.260CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM1995.300CYP2D6
-Target : CHEMBL289
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