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Gene Set: D4 : TTD - d[Thr4,Orn8(5/6C-Flu)]VT

Collection D4 : TTD
Chemical Name d[Thr4,Orn8(5/6C-Flu)]VT ( From PubChem : CHEMBL410556 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1282.4 g/mol 14 30 4.4289 False(1/4)
Structure
InChI InChI=1S/C60H71N11O17S2/c1-4-29(2)48-55(82)70-49(30(3)72)56(83)66-41(26-46(62)76)53(80)67-42(27-90-89-22-19-47(77)68-50(57(84)69-48)31-9-12-33(73)13-10-31)58(85)71-21-6-8-43(71)54(81)65-40(52(79)64-28-61)7-5-20-63-51(78)32-11-16-36-39(23-32)60(88-59(36)86)37-17-14-34(74)24-44(37)87-45-25-35(75)15-18-38(45)60/h9-18,23-25,29-30,40-43,48-50,72-75H,4-8,19-22,26-28,61H2,1-3H3,(H2,62,76)(H,63,78)(H,64,79)(H,65,81)(H,66,83)(H,67,80)(H,68,77)(H,69,84)(H,70,82)/t29?,30?,40-,41+,42+,43+,48+,49+,50-/m0/s1
InChIKey JFIITURTLJMTOM-OPCZXTJTSA-N
Links

Gene (3 / 3)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorAVPR1ASuccessful target
TTDInhibitorAVPR1BClinical trial target
TTDInhibitorOXTRSuccessful target
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