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Gene Set: D4 : TTD - BMS-182874

Collection D4 : TTD
Chemical Name BMS-182874 ( From PubChem : 5-DDINS )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
345.416 g/mol 1 6 4.4652 True
Structure
InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
InChIKey MJRGSRRZKSJHOE-UHFFFAOYSA-N
Links

Gene (4 / 7)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorEDNRASuccessful target
PubChem PotencyuM0.631CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM25.119VDR-GI(Protien) :
ChEMBLAC50nM630.960CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM631.000CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM39810.700HSD17B10
-Target : CHEMBL4159
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