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Gene Set: D4 : TTD - [4Aph(CO-(C2H4O)3-C2H4-NH-CO-NH-OCH3)5]degarelix

Collection D4 : TTD
Chemical Name [4Aph(CO-(C2H4O)3-C2H4-NH-CO-NH-OCH3)5]degarelix ( From PubChem : CHEMBL409044 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1768.45 g/mol 17 37 8.3924 False(0/4)
Structure
InChI InChI=1S/C88H119ClN18O19/c1-53(2)44-68(78(112)99-67(17-10-11-35-93-54(3)4)86(120)107-37-13-18-75(107)85(119)95-55(5)77(90)111)100-80(114)71(47-59-24-31-66(32-25-59)98-87(91)121)102-82(116)72(48-58-22-29-65(30-23-58)97-76(110)33-38-124-40-42-126-43-41-125-39-36-94-88(122)106-123-7)104-84(118)74(52-108)105-83(117)73(50-61-14-12-34-92-51-61)103-81(115)70(46-57-20-27-64(89)28-21-57)101-79(113)69(96-56(6)109)49-60-19-26-62-15-8-9-16-63(62)45-60/h8-9,12,14-16,19-32,34,45,51,53-55,67-75,93,108H,10-11,13,17-18,33,35-44,46-50,52H2,1-7H3,(H2,90,111)(H,95,119)(H,96,109)(H,97,110)(H,99,112)(H,100,114)(H,101,113)(H,102,116)(H,103,115)(H,104,118)(H,105,117)(H3,91,98,121)(H2,94,106,122)/t55-,67+,68+,69-,70-,71-,72+,73-,74+,75+/m1/s1
InChIKey UZNPTQUBATXHSV-POQOSWQFSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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