nafarelin   Click here for help

GtoPdb Ligand ID: 3902

Synonyms: Synarel®
Approved drug
nafarelin is an approved drug (FDA (1990))
Comment: Nafarelin is a gonadotropin releasing hormone receptor agonist. The structure shown here is from PubChem CID 25077405.
2D Structure
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SMILES / InChI / InChIKey
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Canonical 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)NCC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccc2c(c1)cccc2)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1[nH]cnc1
Isomeric SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc1cc2ccccc2cc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
InChI InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
InChI Key RWHUEXWOYVBUCI-ITQXDASVSA-N
Classification Click here for help
Compound class Peptide or derivative
Approved drug? Yes (FDA (1990))
International Nonproprietary Names Click here for help
INN number INN
5402 nafarelin
Synonyms Click here for help
Synarel®
Database Links Click here for help
CAS Registry No. 76932-56-4 (source: Drugbank)
ChEMBL Ligand CHEMBL1201309
DrugBank Ligand DB00666
GtoPdb PubChem SID 178100736
PubChem CID 25077405
Search Google for chemical match using the InChIKey RWHUEXWOYVBUCI-ITQXDASVSA-N
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Search UniChem for chemical match using the InChIKey RWHUEXWOYVBUCI-ITQXDASVSA-N
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Wikipedia Nafarelin

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Tocris
Nafarelin
Cat. No. 2544