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Gene Set: D4 : TTD - [D-Dab(CO-NH-OCH3)3]degarelix

Collection D4 : TTD
Chemical Name [D-Dab(CO-NH-OCH3)3]degarelix ( From PubChem : CHEMBL411337 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1657.27 g/mol 19 37 6.9606 False(0/4)
Structure
InChI InChI=1S/C80H106ClN19O18/c1-43(2)35-58(70(107)91-57(15-10-11-32-84-44(3)4)77(114)100-34-12-16-65(100)76(113)86-45(5)67(82)104)92-73(110)61(38-49-22-29-55(30-23-49)89-78(83)115)94-74(111)62(39-48-20-27-54(28-21-48)88-69(106)63-41-66(103)98-80(117)97-63)95-75(112)64(42-101)96-68(105)56(31-33-85-79(116)99-118-7)90-72(109)60(37-47-18-25-53(81)26-19-47)93-71(108)59(87-46(6)102)40-50-17-24-51-13-8-9-14-52(51)36-50/h8-9,13-14,17-30,36,43-45,56-65,84,101H,10-12,15-16,31-35,37-42H2,1-7H3,(H2,82,104)(H,86,113)(H,87,102)(H,88,106)(H,90,109)(H,91,107)(H,92,110)(H,93,108)(H,94,111)(H,95,112)(H,96,105)(H3,83,89,115)(H2,85,99,116)(H2,97,98,103,117)/t45-,56-,57+,58+,59-,60-,61-,62+,63+,64+,65+/m1/s1
InChIKey DBLYRXMPBSXJDM-GOZSSGHVSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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