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Gene Set: D4 : TTD - PD-123319

Collection D4 : TTD
Chemical Name PD-123319 ( From PubChem : PD 123319 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
508.611 g/mol 1 7 4.4137 False(3/4)
Structure
InChI InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1
InChIKey YSTVFDAKLDMYCR-NDEPHWFRSA-N
Links

Gene (3 / 9)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorAGTR2Successful target
PubChem PotencyuM1.585CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM12.589CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
ChEMBLAC50nM1584.890CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM1584.900CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM12589.200CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM12589.300CYP2C9
-Target : CHEMBL3397
Download gene sets gmt, text, Detailed text
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