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Gene Set: D4 : TTD - [D-4Aph(CO-NH-OCH3)6]degarelix

Collection D4 : TTD
Chemical Name [D-4Aph(CO-NH-OCH3)6]degarelix ( From PubChem : CHEMBL435141 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1662.29 g/mol 17 35 7.4487 False(0/4)
Structure
InChI InChI=1S/C83H105ClN18O17/c1-46(2)36-61(73(108)92-60(17-10-11-34-87-47(3)4)81(116)102-35-13-18-69(102)80(115)88-48(5)71(85)106)93-75(110)64(39-52-24-31-59(32-25-52)91-83(118)101-119-7)95-77(112)65(40-51-22-29-58(30-23-51)90-72(107)67-43-70(105)100-82(117)99-67)97-79(114)68(45-103)98-78(113)66(42-54-14-12-33-86-44-54)96-76(111)63(38-50-20-27-57(84)28-21-50)94-74(109)62(89-49(6)104)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,44,46-48,60-69,87,103H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,104)(H,90,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,91,101,118)(H2,99,100,105,117)/t48-,60+,61+,62-,63-,64-,65+,66-,67+,68+,69+/m1/s1
InChIKey GSLYUOBUEBSTPA-BWBLBVTNSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGNRHRSuccessful target
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