Drug Information
Drug General Information | |||||
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Drug ID |
D00TSY
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Former ID |
DNC006658
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Drug Name |
[D-Dap(CO-NH-OCH3)3]degarelix
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Indication | Discovery agent | Investigative | [528235] | ||
Structure |
Download2D MOL |
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Formula |
C79H104ClN19O18
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Canonical SMILES |
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N<br />)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC<br />(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CNC(=O)NOC)NC(=<br />O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O<br />)C
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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
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InChIKey |
AJPARKCOZVUOMV-NOXGGNAKSA-N
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PubChem Compound ID | |||||
Target and Pathway | |||||
Target(s) | Gonadotropin-releasing hormone receptor | Target Info | Inhibitor | [528235] | |
NetPath Pathway | IL1 Signaling Pathway | ||||
IL2 Signaling Pathway | |||||
References |
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