Drug Information
Drug General Information | |||||
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Drug ID |
D0L8WJ
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Former ID |
DNC006649
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Drug Name |
[D-4Aph(CO-NH-OH)6]degarelix
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Indication | Discovery agent | Investigative | [528235] | ||
Structure |
Download2D MOL |
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Formula |
C82H103ClN18O17
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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)NO)NC(=O)C(CC3=CC=C(C=C3)N<br />C(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)N<br />C(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC<br />(=O)C
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InChI |
1S/C82H103ClN18O17/c1-45(2)35-60(72(107)91-59(16-9-10-33-86-46(3)4)80(115)101-34-12-17-68(101)79(114)87-47(5)70(84)105)92-74(109)63(38-51-23-30-58(31-24-51)90-82(117)100-118)94-76(111)64(39-50-21-28-57(29-22-50)89-71(106)66-42-69(104)99-81(116)98-66)96-78(113)67(44-102)97-77(112)65(41-53-13-11-32-85-43-53)95-75(110)62(37-49-19-26-56(83)27-20-49)93-73(108)61(88-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,86,102,118H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,87,114)(H,88,103)(H,89,106)(H,91,107)(H,92,109)(H,93,108)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H2,90,100,117)(H2,98,99,104,116)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
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InChIKey |
ZYLCANLEJMKHHC-XYAYPHGZSA-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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