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

Collection D4 : TTD
Chemical Name [D-Dap(CO-NH-OCH3)3]degarelix ( From PubChem : CHEMBL411381 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1643.24 g/mol 19 37 6.5705 False(0/4)
Structure
InChI InChI=1S/C79H104ClN19O18/c1-42(2)33-56(68(105)89-55(15-10-11-31-83-43(3)4)76(113)99-32-12-16-64(99)75(112)85-44(5)66(81)103)90-70(107)58(36-48-22-29-54(30-23-48)88-77(82)114)92-71(108)59(37-47-20-27-53(28-21-47)87-67(104)61-39-65(102)97-79(116)96-61)93-74(111)63(41-100)95-73(110)62(40-84-78(115)98-117-7)94-72(109)60(35-46-18-25-52(80)26-19-46)91-69(106)57(86-45(6)101)38-49-17-24-50-13-8-9-14-51(50)34-49/h8-9,13-14,17-30,34,42-44,55-64,83,100H,10-12,15-16,31-33,35-41H2,1-7H3,(H2,81,103)(H,85,112)(H,86,101)(H,87,104)(H,89,105)(H,90,107)(H,91,106)(H,92,108)(H,93,111)(H,94,109)(H,95,110)(H3,82,88,114)(H2,84,98,115)(H2,96,97,102,116)/t44-,55+,56+,57-,58-,59+,60-,61+,62-,63+,64+/m1/s1
InChIKey AJPARKCOZVUOMV-NOXGGNAKSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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