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Gene Set: D4 : TTD - U50,488H

Collection D4 : TTD
Chemical Name U50,488H ( From PubChem : U-50488H )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
465.434 g/mol 1 6 4.924 True
Structure
InChI InChI=1S/C19H26Cl2N2O.CH4O3S/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-5(2,3)4/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H3,(H,2,3,4)/t17-,18-;/m1./s1
InChIKey OJPHNZCUXUUVKU-JAXOOIEVSA-N
Links

Gene (3 / 13)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDAgonistOPRK1Successful target
PubChem PotencyuM2.512CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
PubChem PotencyuM12.589CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem EC50uM0.207OPRK1-GI(Protien) :
PubChem EC50uM0.500OPRK1-GI(Protien) :
ChEMBLAC50nM2511.890CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM2511.900CYP2D6
-Target : CHEMBL289
ChEMBLAC50nM12589.200CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM12589.300CYP3A4
-Target : CHEMBL340
ChEMBLEC50nM500.000OPRK1
-Target : CHEMBL237
ChEMBLEC50nM207.000OPRK1
-Target : CHEMBL237
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