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Gene Set: D4 : CTD - B 581

Collection D4 : CTD
Chemical Name B 581 ( From PubChem : B581 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
470.692 g/mol 6 9 3.2541 False(3/4)
Structure
InChI InChI=1S/C22H38N4O3S2/c1-15(2)20(24-12-17(23)14-30)13-25-19(11-16-7-5-4-6-8-16)21(27)26-18(22(28)29)9-10-31-3/h4-8,15,17-20,24-25,30H,9-14,23H2,1-3H3,(H,26,27)(H,28,29)/t17-,18+,19+,20-/m1/s1
InChIKey QISLMXIYRQCLIR-FUMNGEBKSA-N
Links

Gene (6 / 9)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDdecreases(activity)NFKB1
C088459
CTDdecreases(phosphorylation)NFKBIA
C088459
CTDdecreases(activity)RELA
C088459
PubChem PotencyuM19.953EHMT2-GI(Protien) :
PubChem PotencyuM25.119MAPT-GI(Protien) :
PubChem PotencyuM8.912VDR-GI(Protien) :
PubChem PotencyuM35.481VDR-GI(Protien) :
ChEMBLPotencynM19952.600EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM25118.900MAPT
-Target : CHEMBL1293224
Download gene sets gmt, text, Detailed text
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