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Gene Set: D4 : CTD - valdecoxib

Collection D4 : CTD
Chemical Name valdecoxib ( From PubChem : VALDECOXIB )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
314.359 g/mol 1 5 4.7455 True
Structure
InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N
Links

Gene (6 / 10)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDaffects(binding)CA2
C406224
CTDdecreases(activity)CA2
C406224
CTDaffects(binding)CA3
C406224
CTDdecreases(activity)CA3
C406224
CTDdecreases(activity)PTGS2
C406224
CTDdecreases(reaction)SLC22A2
C406224
CTDincreases(uptake)SLC22A2
C406224
PubChem Ratio Potency (uM)uM18.996AR-GI(Protien) :
PubChem NoneuMMAP4K2-GI(Protien) :
ChEMBLInhibition-PTGS2
-Target : CHEMBL230
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