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Gene Set: D4 : TTD - cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pic-)

Collection D4 : TTD
Chemical Name cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pic-) ( From PubChem : CHEMBL373637 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
783.919 g/mol 9 17 3.826 False(1/4)
Structure
InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33?/m0/s1
InChIKey OGLLNRFCXLYAMK-PUTGARGQSA-N
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Gene (1 / 3)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCXCR4Successful target
TTDInhibitorCXCR4Successful target
TTDInhibitorCXCR4Successful target
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