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

Collection D4 : TTD
Chemical Name cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-beta-Ala-) ( From PubChem : CHEMBL375991 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
743.855 g/mol 10 17 3.3421 False(1/4)
Structure
InChI InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(20-22-10-13-26(49)14-11-22)32(51)42-18-15-31(50)45-30(35(54)47-27)21-23-9-12-24-5-1-2-6-25(24)19-23/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29+,30-/m0/s1
InChIKey LMVXXKJNXQKPHR-ZXYZSCNASA-N
Links

Gene (1 / 3)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCXCR4Successful target
TTDInhibitorCXCR4Successful target
TTDInhibitorCXCR4Successful target
Download gene sets gmt, text, Detailed text
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