degarelix   Click here for help

GtoPdb Ligand ID: 5585

Synonyms: FE200486 | Firmagon®
Approved drug
degarelix is an approved drug (FDA (2008), EMA (2009))
Compound class: Peptide
Comment: Synthetic analogue of the GnRH decapeptide, with antagonistic action.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1
Isomeric SMILES OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1
InChI InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
InChI Key MEUCPCLKGZSHTA-XYAYPHGZSA-N
Classification Click here for help
Compound class Peptide
Approved drug? Yes (FDA (2008), EMA (2009))
International Nonproprietary Names Click here for help
INN number INN
8192 degarelix
Synonyms Click here for help
FE200486 | Firmagon®
Database Links Click here for help
Specialist databases
GPCRdb Ligand degarelix
Other databases
CAS Registry No. 214766-78-6 (source: Scifinder)
ChEMBL Ligand CHEMBL415606
DrugBank Ligand DB06699
DrugCentral Ligand 4379
GtoPdb PubChem SID 178102220
PubChem CID 16136245
Search Google for chemical match using the InChIKey MEUCPCLKGZSHTA-XYAYPHGZSA-N
Search Google for chemicals with the same backbone MEUCPCLKGZSHTA
Search PubMed clinical trials degarelix
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Search PubMed titles/abstracts degarelix
UniChem Compound Search for chemical match using the InChIKey MEUCPCLKGZSHTA-XYAYPHGZSA-N
UniChem Connectivity Search for chemical match using the InChIKey MEUCPCLKGZSHTA-XYAYPHGZSA-N
Wikipedia Degarelix