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Gene Set: D4 : TTD - Rofecoxib

Collection D4 : TTD
Chemical Name Rofecoxib ( From PubChem : ROFECOXIB )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
314.356 g/mol 0 4 3.6385 True
Structure
InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey RZJQGNCSTQAWON-UHFFFAOYSA-N
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Gene (4 / 8)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorPTGS2Successful target
TTDDrug(s)PTGS2Successful target
PubChem PotencyuM2.818ALDH1A1-GI(Protien) :
PubChem NoneuMMBD2-GI(Protien) :
PubChem NoneuMMBD2-GI(Protien) :
PubChem NoneuMUHRF1-GI(Protien) :
PubChem NoneuMUHRF1-GI(Protien) :
ChEMBLPotencynM2818.400ALDH1A1
-Target : CHEMBL3577
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