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Gene Set: D4 : TTD - AdcAhxArg4Lys-PEGOMe


Collection D4 : TTD
Chemical Name AdcAhxArg4Lys-PEGOMe ( From PubChem : CHEMBL426336 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1248.44 g/mol 19 37 1.8711 False(1/4)
Structure
InChI InChI=1S/C51H93N25O12/c1-86-25-26-87-24-23-63-41(80)29(11-4-5-17-52)72-43(82)31(13-8-20-65-49(56)57)74-45(84)33(15-10-22-67-51(60)61)75-44(83)32(14-9-21-66-50(58)59)73-42(81)30(12-7-19-64-48(54)55)71-34(77)16-3-2-6-18-62-46(85)38-36(78)37(79)47(88-38)76-28-70-35-39(53)68-27-69-40(35)76/h27-33,36-38,47,78-79H,2-26,52H2,1H3,(H,62,85)(H,63,80)(H,71,77)(H,72,82)(H,73,81)(H,74,84)(H,75,83)(H2,53,68,69)(H4,54,55,64)(H4,56,57,65)(H4,58,59,66)(H4,60,61,67)/t29?,30-,31-,32-,33-,36-,37+,38-,47+/m0/s1
InChIKey JBQKHDQXRCCDGW-NZDGIOGASA-N
Links

Gene (2 / 2)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorPRKAR1AResearch target
TTDInhibitorPRKAR2BResearch target
Download gene sets gmt, text, Detailed text
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