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Gene Set: D4 : TTD - d(CH2)5[Tyr(Me)2,Thr4,Orn8(5/6C-Flu),Tyr-NH29]VT

Collection D4 : TTD
Chemical Name d(CH2)5[Tyr(Me)2,Thr4,Orn8(5/6C-Flu),Tyr-NH29]VT ( From PubChem : CHEMBL412676 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1484.65 g/mol 15 32 7.3219 False(0/4)
Structure
InChI InChI=1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37?,38?,50-,51+,52+,53+,58+,59+,60-,71+/m0/s1
InChIKey BBABDJYQAOTGDM-JEIVZFIASA-N
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Gene (2 / 2)


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