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Gene Set: D4 : TTD - desGly-NH2,d(CH2)5[D-Tyr2,Thr4,Orn8(5/6C-Flu)]VT

Collection D4 : TTD
Chemical Name desGly-NH2,d(CH2)5[D-Tyr2,Thr4,Orn8(5/6C-Flu)]VT ( From PubChem : CHEMBL414264 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1322.46 g/mol 13 29 6.0928 False(0/4)
Structure
InChI InChI=1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32?,33?,43-,44+,45+,46+,51+,52+,53-/m0/s1
InChIKey YDQFMQKHNPCEQF-AMPJLWALSA-N
Links

Gene (2 / 2)


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