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Gene Set: D4 : TTD - SR 49059

Collection D4 : TTD
Chemical Name SR 49059 ( From PubChem : RELCOVAPTAN )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
620.501 g/mol 2 10 5.0843 False(2/4)
Structure
InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N
Links

Gene (4 / 8)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDAntagonistAVPR1ASuccessful target
TTDInhibitorAVPR1ASuccessful target
PubChem PotencyuM15.849ALOX15-GI(Protien) :
PubChem PotencyuM1.995CYP3A4-GI(Protien) :
PubChem PotencyuM3.981MAPK1-GI(Protien) :
ChEMBLPotencynM15848.900ALOX15
-Target : CHEMBL2903
ChEMBLPotencynM1995.300CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM3981.100MAPK1
-Target : CHEMBL4040
Download gene sets gmt, text, Detailed text
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