Drug Information
Drug General Information | |||||
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Drug ID |
D04TDF
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Former ID |
DNC006646
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Drug Name |
[4Aph(CO-NH-OCH3)5,D-4Aph(CO-NH-OCH3)6]degarelix
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Indication | Discovery agent | Investigative | [528235] | ||
Structure |
Download2D MOL |
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Formula |
C80H104ClN17O16
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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)NOC)NC(=O)C(CC3=CC=C(C=C3)<br />NC(=O)NOC)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=C<br />C=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C
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InChI |
1S/C80H104ClN17O16/c1-46(2)37-61(70(102)89-60(18-11-12-35-84-47(3)4)78(110)98-36-14-19-68(98)77(109)85-48(5)69(82)101)90-72(104)64(40-51-23-30-58(31-24-51)87-79(111)96-113-7)92-74(106)65(41-52-25-32-59(33-26-52)88-80(112)97-114-8)94-76(108)67(45-99)95-75(107)66(43-54-15-13-34-83-44-54)93-73(105)63(39-50-21-28-57(81)29-22-50)91-71(103)62(86-49(6)100)42-53-20-27-55-16-9-10-17-56(55)38-53/h9-10,13,15-17,20-34,38,44,46-48,60-68,84,99H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)(H2,87,96,111)(H2,88,97,112)/t48-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1
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InChIKey |
MBXSPUXZEDANHS-KHEFCMSFSA-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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