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

Collection D4 : TTD
Chemical Name [D-Dab(CO-NH-OH)3]degarelix ( From PubChem : CHEMBL425813 )
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 20 37 6.7884 False(0/4)
Structure
InChI InChI=1S/C79H104ClN19O18/c1-42(2)34-57(69(106)90-56(14-9-10-31-83-43(3)4)76(113)99-33-11-15-64(99)75(112)85-44(5)66(81)103)91-72(109)60(37-48-21-28-54(29-22-48)88-77(82)114)93-73(110)61(38-47-19-26-53(27-20-47)87-68(105)62-40-65(102)97-79(116)96-62)94-74(111)63(41-100)95-67(104)55(30-32-84-78(115)98-117)89-71(108)59(36-46-17-24-52(80)25-18-46)92-70(107)58(86-45(6)101)39-49-16-23-50-12-7-8-13-51(50)35-49/h7-8,12-13,16-29,35,42-44,55-64,83,100,117H,9-11,14-15,30-34,36-41H2,1-6H3,(H2,81,103)(H,85,112)(H,86,101)(H,87,105)(H,89,108)(H,90,106)(H,91,109)(H,92,107)(H,93,110)(H,94,111)(H,95,104)(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 GJGANCMMPWJOQC-UFLOVSMNSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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