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Gene Set: D4 : TTD - d(CH2)5[Tyr(Me)2,Thr4,Orn8,Tyr9-NH2]VT

Collection D4 : TTD
Chemical Name d(CH2)5[Tyr(Me)2,Thr4,Orn8,Tyr9-NH2]VT ( From PubChem : CHEMBL414915 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1126.35 g/mol 13 26 4.1808 False(1/4)
Structure
InChI InChI=1S/C52H75N11O13S2/c1-5-28(2)40-47(73)59-41(29(3)64)48(74)57-35(25-38(54)67)45(71)58-36(27-77-78-52(21-7-6-8-22-52)26-39(68)62-51(4,50(76)61-40)31-15-19-33(66)20-16-31)49(75)63-24-10-12-37(63)46(72)56-34(11-9-23-53)44(70)60-42(43(55)69)30-13-17-32(65)18-14-30/h13-20,28-29,34-37,40-42,64-66H,5-12,21-27,53H2,1-4H3,(H2,54,67)(H2,55,69)(H,56,72)(H,57,74)(H,58,71)(H,59,73)(H,60,70)(H,61,76)(H,62,68)/t28?,29?,34-,35+,36+,37+,40+,41+,42-,51+/m0/s1
InChIKey MRGPBAZYRUEDDT-YHXQAOAKSA-N
Links

Gene (3 / 3)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorAVPR1ASuccessful target
TTDInhibitorAVPR2Successful target
TTDInhibitorOXTRSuccessful target
Download gene sets gmt, text, Detailed text
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