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Gene Set: D4 : TTD - AdcAhxArg4NH(CH2)6NH2


Collection D4 : TTD
Chemical Name AdcAhxArg4NH(CH2)6NH2 ( From PubChem : CHEMBL263964 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1117.31 g/mol 18 33 2.7225 False(1/4)
Structure
InChI InChI=1S/C46H84N24O9/c47-17-5-1-2-6-18-57-37(74)26(12-8-20-59-43(49)50)67-39(76)28(14-10-22-61-45(53)54)69-40(77)29(15-11-23-62-46(55)56)68-38(75)27(13-9-21-60-44(51)52)66-30(71)16-4-3-7-19-58-41(78)34-32(72)33(73)42(79-34)70-25-65-31-35(48)63-24-64-36(31)70/h24-29,32-34,42,72-73H,1-23,47H2,(H,57,74)(H,58,78)(H,66,71)(H,67,76)(H,68,75)(H,69,77)(H2,48,63,64)(H4,49,50,59)(H4,51,52,60)(H4,53,54,61)(H4,55,56,62)/t26-,27-,28-,29-,32-,33+,34-,42+/m0/s1
InChIKey AKYVNHGFJFUSDY-HYKQOWLKSA-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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