nafarelin   Click here for help

GtoPdb Ligand ID: 3902

Synonyms: Synarel®
Approved drug
nafarelin is an approved drug (FDA (1990))
Compound class: Peptide or derivative
Comment: Nafarelin is a gonadotropin releasing hormone receptor agonist. The structure shown here is from PubChem CID 25077405.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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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
Search Google for chemicals with the same backbone RWHUEXWOYVBUCI
Search PubMed clinical trials nafarelin
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Search UniChem for chemical match using the InChIKey RWHUEXWOYVBUCI-ITQXDASVSA-N
Search UniChem for chemicals with the same backbone RWHUEXWOYVBUCI
Wikipedia Nafarelin

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Tocris
Nafarelin
Cat. No. 2544