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

Collection D4 : TTD
Chemical Name [D-Dap(CO-NH-OH)3]degarelix ( From PubChem : CHEMBL428484 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1629.21 g/mol 20 37 6.3983 False(0/4)
Structure
InChI InChI=1S/C78H102ClN19O18/c1-41(2)32-55(67(104)88-54(14-9-10-30-82-42(3)4)75(112)98-31-11-15-63(98)74(111)84-43(5)65(80)102)89-69(106)57(35-47-21-28-53(29-22-47)87-76(81)113)91-70(107)58(36-46-19-26-52(27-20-46)86-66(103)60-38-64(101)96-78(115)95-60)92-73(110)62(40-99)94-72(109)61(39-83-77(114)97-116)93-71(108)59(34-45-17-24-51(79)25-18-45)90-68(105)56(85-44(6)100)37-48-16-23-49-12-7-8-13-50(49)33-48/h7-8,12-13,16-29,33,41-43,54-63,82,99,116H,9-11,14-15,30-32,34-40H2,1-6H3,(H2,80,102)(H,84,111)(H,85,100)(H,86,103)(H,88,104)(H,89,106)(H,90,105)(H,91,107)(H,92,110)(H,93,108)(H,94,109)(H3,81,87,113)(H2,83,97,114)(H2,95,96,101,115)/t43-,54+,55+,56-,57-,58+,59-,60+,61-,62+,63+/m1/s1
InChIKey QJTXGVWJYSNZTE-PTPJWVMESA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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